SCHEMBL1104540

SCHEMBL1104540

COC(=O)[C@]1(CC#N)CC[C@H](c2cccc(OCc3ccccc3)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.41
KCNH2 Q12809 1/20 0.40
GHSR Q92847 5/20 0.40
ADAM17 P78536 2/20 0.40
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
LMNA P02545 2/20 0.37
GUSB P08236 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL1104560 0.91 YAP1 (0.44) YAP1KCNH2GHSRADAM17ALDH1A1
SCHEMBL1104530 0.91 YAP1 (0.44) YAP1KCNH2GHSRADAM17ALDH1A1
SCHEMBL13172547 0.84 YAP1 (0.44) YAP1KCNH2GHSRADAM17MAPT
SCHEMBL14019388 0.84 YAP1 (0.44) YAP1KCNH2GHSRADAM17MAPT
SCHEMBL1104543 0.83 YAP1 (0.43) YAP1GHSRADAM17GUSBALDH1A1
SCHEMBL10167536 0.83 YAP1 (0.42) YAP1KCNH2GHSRADAM17MDM4
SCHEMBL483409 0.82 KCNH2 (0.46) YAP1KCNH2GHSRMDM4MDM2
SCHEMBL2831509 0.81 KCNH2 (0.46) KCNH2LMNAGUSBALDH1A1MAPT
SCHEMBL1104561 0.80 KCNH2 (0.47) KCNH2ADAM17MAPTMAOB
SCHEMBL10167537 0.80 YAP1 (0.46) YAP1KCNH2GHSRADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 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 (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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 YAP1 1640/4885KCNH2 3260/4885GHSR 1991/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B YAP1 3425/4885KCNH2 15/4885GHSR 2499/4885

“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.