SCHEMBL71748

SCHEMBL71748

COc1cnc(C(=O)O)cc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.45
TRPC6 Q9Y210 3/20 0.45
P4HTM Q9NXG6 2/20 0.43
GPR35 Q9HC97 1/20 0.42
ALOX15 P16050 1/20 0.42
ECE1 P42892 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
XDH P47989 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL21045747 0.94 TRPC6 (0.50) KMOTRPC6P4HTMGPR35ALOX15
SCHEMBL29368707 0.86 GPR35 (0.49) KMOP4HTMGPR35ALOX15ECE1
SCHEMBL18009392 0.86 GPR35 (0.49) KMOP4HTMGPR35ALOX15ECE1
SCHEMBL72539 0.86 TRPC6 (0.44) TRPC6KDM4EL3MBTL1
SCHEMBL11894710 0.82 KMO (0.46) KMOP4HTMKDM4EASPHKDM8
SCHEMBL21045923 0.82 TRPC6 (0.55) KMOTRPC6P4HTMGPR35ALOX15
SCHEMBL21045922 0.82 TRPC6 (0.55) KMOTRPC6P4HTMGPR35ALOX15
SCHEMBL21045936 0.82 TRPC6 (0.55) KMOTRPC6P4HTMGPR35ALOX15
SCHEMBL21045707 0.82 TRPC6 (0.57) TRPC6MCL1
SCHEMBL72278 0.81 MAPT (0.47) TRPC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US disclosed
US-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2005-08-11 US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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 (6 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C KMO 1372/4885TRPC6 2523/4885P4HTM 1500/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KMO 1087/4885TRPC6 2415/4885P4HTM 1284/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KMO 1199/4885TRPC6 2515/4885P4HTM 1340/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KMO 1199/4885TRPC6 2515/4885P4HTM 1340/4885
US-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases CFTR, NPC1L1, GOLT1B KMO 4427/4885TRPC6 1018/4885P4HTM 1367/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KMO 1087/4885TRPC6 2415/4885P4HTM 1284/4885

“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.