SCHEMBL3714772

SCHEMBL3714772

Cc1ccc2c(c1)C(C)(C)CCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.50
RARG P13631 2/20 0.50
RARA P10276 1/20 0.50
HSPA9 P38646 4/20 0.46
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
KDM1A O60341 1/20 0.34
HTR5A P47898 1/20 0.34

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
SCHEMBL15304427 0.89 RARB (0.42) RARBRARGRARAHSPA9CYP1A2
SCHEMBL428286 0.85 RARB (0.50) RARBRARGRARAHSPA9CYP1A2
SCHEMBL1607884 0.81 CYP1A2 (0.41) RARBRARGRARACYP1A2POLB
SCHEMBL19260277 0.80 HTR2A (0.50) RARBRARGRARAHSPA9AR
SCHEMBL9057990 0.80 RARB (0.49) RARBRARGRARAHSPA9AR
SCHEMBL1396642 0.80 RARB (0.49) RARBRARGRARAHSPA9AR
SCHEMBL6325616 0.80 RARB (0.49) RARBRARGRARAHSPA9CYP1A2
SCHEMBL19859121 0.80 RARB (0.49) RARBRARGRARAHSPA9AR
SCHEMBL23714634 0.78 RARB (0.36) RARBRARGRARAHSPA9CYP1A2
SCHEMBL3794066 0.77 HSPA9 (0.49) RARBRARGRARAHSPA9AR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833203-B2 Synthetic retinoids (in cell modulation) UNIVERSITY OF DURHAM 2023-12-05 US disclosed
US-11324825-B2 Synthetic retinoids (in cell modulation) UNIVERSITY OF DURHAM 2022-05-10 US disclosed
WO-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
WO-2021102332-A1 TGFBETAR2 INHIBITOR-LRRC15 ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-05-27 WO disclosed
US-20190209684-A1 Synthetic Retinoids (in Cell Modulation) UNIVERSITY OF DURHAM (GB) 2019-07-11 US disclosed
US-20190209685-A1 SYNTHETIC RETINOIDS (IN CELL MODULATION) UNIVERSITY OF DURHAM (GB) 2019-07-11 US disclosed
WO-2018029473-A1 SYNTHETIC RETINOIDS (IN CELL MODULATION) UNIVERSITY OF DURHAM (GB) 2018-02-15 WO disclosed
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
WO-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US disclosed
WO-2005058803-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2005-06-30 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 (5 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-11833203-B2 Synthetic retinoids (in cell modulation) RARA, RARB, RXRA RARB 2/4885RARG 4/4885RARA 1/4885
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods HDAC5, HDAC1, HDAC2 RARB 998/4885RARG 904/4885RARA 1012/4885
US-11324825-B2 Synthetic retinoids (in cell modulation) RARA, RARB, RXRA RARB 2/4885RARG 4/4885RARA 1/4885
US-20190209685-A1 SYNTHETIC RETINOIDS (IN CELL MODULATION) RARA, RARB, RXRA RARB 2/4885RARG 4/4885RARA 1/4885
US-20190209684-A1 Synthetic Retinoids (in Cell Modulation) RARA, RARB, RXRA RARB 2/4885RARG 4/4885RARA 1/4885

“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.