SCHEMBL9278331

SCHEMBL9278331

CC(C)(C)Cc1cccc2c1CC[C@@H]2O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
KMT2A Q03164 1/20 0.38
POLL Q9UGP5 1/20 0.37
OPRL1 P41146 3/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
S1PR1 P21453 7/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ADRA1A P35348 4/20 0.33
OPRM1 P35372 2/20 0.32

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
SCHEMBL1508337 0.81 POLL (0.43) KMT2APOLLOPRL1KCNH2S1PR1
SCHEMBL17571276 0.81 POLL (0.43) KMT2APOLLOPRL1KCNH2S1PR1
SCHEMBL1508764 0.81 POLL (0.43) KMT2APOLLOPRL1KCNH2S1PR1
SCHEMBL9456077 0.79 HTR2A (0.43) KMT2APOLLOPRL1KCNH2HTR2A
SCHEMBL9455939 0.76 KMT2A (0.37) KMT2APOLLOPRL1KCNH2S1PR1
SCHEMBL17563590 0.75 CA2 (0.41) KMT2APOLLOPRL1KCNH2S1PR1
SCHEMBL17563589 0.75 CA2 (0.41) KMT2APOLLOPRL1KCNH2S1PR1
SCHEMBL9455921 0.74 GABRA1 (0.42) KMT2APOLLADRA1A
SCHEMBL9506611 0.74 TBXA2R (0.42) KMT2APOLLADRA1A
SCHEMBL28950294 0.74 KMT2A (0.38) KMT2APOLLOPRL1KCNH2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2646425-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS Boehringer Ingelheim International GmbH (DE) 2013-10-09 EP disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (1 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-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 RIPK1 3968/4885KMT2A 3811/4885POLL 4742/4885

“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.