SCHEMBL267262

SCHEMBL267262

C[C@@]12CCC(=O)C=C1CCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP19A1 P11511 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.40
MAPK1 P28482 3/20 0.40
BLM P54132 3/20 0.40
PMP22 Q01453 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SHBG P04278 2/20 0.40
SERPINA6 P08185 2/20 0.40
HSD17B3 P37058 2/20 0.40
SNCA P37840 2/20 0.40
TSHR P16473 2/20 0.40
NR3C1 P04150 3/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
POLB P06746 1/20 0.35
NR1I2 O75469 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL260976 1.00 ALDH1A1 (0.46) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL4232967 1.00 ALDH1A1 (0.46) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL2549760 0.88 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL2549762 0.88 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL2618326 0.88 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL18922491 0.81 CYP19A1 (0.42) ALDH1A1LMNACYP3A4CYP19A1AR
SCHEMBL12911139 0.81 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL12887436 0.75 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL11424214 0.74 ALDH1A1 (0.36) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2
SCHEMBL11423377 0.74 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP19A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-02 US disclosed
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 US disclosed
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2020-04-30 US disclosed
WO-2018111315-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF RORγ AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2018-06-21 WO disclosed
EP-3162438-A1 POLYMER SUPPORTED VICINAL DIAMINES AND THEIR USE AS CATALYST IN THE HAJOS-PARRISH-ENDER-SAUSER-WIECHERT AND ROBINSON ANNULATION REACTIONS Fundació Institut Català d'Investigació Química (ES) 2017-05-03 EP disclosed
EP-3162438-A1 POLYMER SUPPORTED VICINAL DIAMINES AND THEIR USE AS CATALYST IN THE HAJOS-PARRISH-ENDER-SAUSER-WIECHERT AND ROBINSON ANNULATION REACTIONS Fundació Institut Català d'Investigació Química (ES) 2017-05-03 EP disclosed
US-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
EP-1912932-B1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS INC (US) 2012-05-02 EP disclosed
US-8133915-B2 Interleukin-1 and tumor necrosis factor-α modulators; syntheses of such modulators and methods of using such modulators NEREUS PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20080188475-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHAMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188475-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHAMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080103328-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-20080103328-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators NEREUS PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators HENSLER, MARY 2008-03-13 US disclosed
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators HENSLER, MARY 2008-03-13 US disclosed
US-7342125-B2 Method of treating inflammation with acanthoic acid derivatives NEREUS PHARMACEUTICALS, INC. (US) 2008-03-11 US disclosed
US-7342125-B2 Method of treating inflammation with acanthoic acid derivatives NEREUS PHARMACEUTICALS, INC. (US) 2008-03-11 US disclosed
US-7288671-B2 Interleukin-1 and tumor necrosis factor-α modulators, synthesis of said modulators and their enantiomers and methods of using said modulators NEREUS PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-7288671-B2 Interleukin-1 and tumor necrosis factor-α modulators, synthesis of said modulators and their enantiomers and methods of using said modulators NEREUS PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION CYCS, COX6C, COXFA4L2 ALDH1A1 2813/4885LMNA 627/4885CYP3A4 1790/4885
US-20080103328-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators TNF, TNFRSF1A, IL1R1 ALDH1A1 520/4885LMNA 1488/4885CYP3A4 2271/4885
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA ALDH1A1 423/4885LMNA 3849/4885CYP3A4 801/4885
US-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF ALDH1A1 2662/4885LMNA 3398/4885CYP3A4 2799/4885
US-20080188475-A1 Novel Interleukin-1 and Tumor Necrosis Factor-Alpha Modulators, Syntheses of Said Modulators and Their Enantiomers and Methods of Using Said Modulators IL1A, IL1B, TNF ALDH1A1 721/4885LMNA 4215/4885CYP3A4 1400/4885
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA ALDH1A1 423/4885LMNA 3849/4885CYP3A4 801/4885
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF ALDH1A1 2662/4885LMNA 3398/4885CYP3A4 2799/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.