SCHEMBL289444

SCHEMBL289444

CC1(C)CCOc2ccc(C=O)cc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.55
RARG P13631 7/20 0.55
RARA P10276 6/20 0.55
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXRA P19793 2/20 0.45
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
AKR1B1 P15121 1/20 0.38
HNF4A P41235 1/20 0.38

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
SCHEMBL3521982 0.91 ALDH1A1 (0.47) RARBRARGRARAALDH1A1HSD17B10
SCHEMBL9053811 0.87 RARB (0.46) RARBRARGRARAALDH1A1HSD17B10
SCHEMBL9817812 0.84 RARB (0.48) RARBRARGRARAALDH1A1HSD17B10
SCHEMBL9054040 0.84 RARB (0.52) RARBRARGRARARXRACYP26A1
SCHEMBL1390674 0.83 RARB (0.53) RARBRARGRARAALDH1A1HSD17B10
SCHEMBL10563229 0.82 RARB (0.60) RARBRARGRARARXRACYP26A1
SCHEMBL10693990 0.81 RARB (0.80) RARBRARGRARAALDH1A1HSD17B10
SCHEMBL10693994 0.81 RARB (0.80) RARBRARGRARAALDH1A1HSD17B10
SCHEMBL9053853 0.80 ALDH1A1 (0.42) RARBRARGRARAALDH1A1HSD17B10
SCHEMBL28922776 0.78 ALDH1A1 (0.44) RARBRARGRARAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 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 (2 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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 RARB 2760/4885RARG 2970/4885RARA 2550/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 RARB 2283/4885RARG 3020/4885RARA 2207/4885

“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.