SCHEMBL158444

SCHEMBL158444

[CH2]C(CCC)c1cc(C#N)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP19A1 P11511 1/20 0.32
GRM5 P41594 1/20 0.32
AHR P35869 1/20 0.31
KDM1A O60341 1/20 0.31
KCNH2 Q12809 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
HPGDS O60760 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL16951969 0.83 MGLL (0.36) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL16961695 0.79 ALDH1A1 (0.39) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL21164288 0.78 MGLL (0.38) MGLLALDH1A1GRM5AHRKDM1A
SCHEMBL21135650 0.76 MGLL (0.40) MGLLALDH1A1GRM5KDM1AKCNH2
SCHEMBL16959946 0.76 ALDH1A1 (0.37) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL10472613 0.75 MGLL (0.36) MGLLALDH1A1AHR
SCHEMBL15958517 0.75 ALDH1A1 (0.42) MGLLALDH1A1GRM5KDM1AHPGDS
SCHEMBL7470616 0.74 GPR84 (0.40) ALDH1A1AHR
SCHEMBL202404 0.74 ALDH1A1 (0.61) ALDH1A1GRM5KDM1AHPGDSPGR
SCHEMBL6682154 0.74 ALDH1A1 (0.41) MGLLALDH1A1GRM5KDM1AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390246-A1 Compounds and Compositions That Bind and Stabilize Transthyretin and Their Use for Inhibiting Transthyretin Amyloidosis and Protein-Protein Interactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-12-07 US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 US disclosed
US-20230105307-A1 Identification of Stabilizers of Multimeric Proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-04-06 US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 US disclosed
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-11337935-B2 Identification of stabilizers of multimeric proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-05-24 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
EP-3935042-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF Conatus Pharmaceuticals, Inc. (US) 2022-01-12 EP disclosed
US-11136362-B2 Peptide modulators of specific calcineurin protein-protein interactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-10-05 US disclosed
US-11129902-B2 Enhanced SN-38 anticancer agent Alhamadsheh, Mamoun M. (US) 2021-09-28 US disclosed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO disclosed
WO-1998011129-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-03-19 WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO 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 (8 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-20230105307-A1 Identification of Stabilizers of Multimeric Proteins TTR, HSPBP1, HSPH1 MGLL 4072/4885ALDH1A1 3493/4885CYP19A1 4872/4885
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 MGLL 2290/4885ALDH1A1 2161/4885CYP19A1 682/4885
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP MGLL 2030/4885ALDH1A1 3718/4885CYP19A1 4554/4885
US-11337935-B2 Identification of stabilizers of multimeric proteins TTR, HSPBP1, HSPH1 MGLL 4072/4885ALDH1A1 3493/4885CYP19A1 4872/4885
US-20230390246-A1 Compounds and Compositions That Bind and Stabilize Transthyretin and Their Use for Inhibiting Transthyretin Amyloidosis and Protein-Protein Interactions TTR, PRNP, APP MGLL 3622/4885ALDH1A1 3846/4885CYP19A1 4578/4885
US-11129902-B2 Enhanced SN-38 anticancer agent LENG8, TSG101, CD47 MGLL 2018/4885ALDH1A1 3116/4885CYP19A1 3674/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 MGLL 1075/4885ALDH1A1 1037/4885CYP19A1 4519/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 MGLL 2290/4885ALDH1A1 2161/4885CYP19A1 682/4885

“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.