SCHEMBL72713

SCHEMBL72713

Cc1c(OC2CCCC2)c(O)cc(F)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
APP P05067 1/20 0.36
PDE4D Q08499 5/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
SCN9A Q15858 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
CXCR5 P32302 1/20 0.33
GLA P06280 1/20 0.33
SERPINE1 P05121 1/20 0.33
DHODH Q02127 1/20 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
SCHEMBL72832 0.81 PDE4A (0.44) KMT2APTGS1PTGS2THRATHRB
SCHEMBL21939450 0.71 SCN9A (0.40) KMT2APTGS1PTGS2PDE4DPDE4A
SCHEMBL12760853 0.71 THRA (0.38) KMT2ATHRATHRBPDE4DPDE4A
SCHEMBL70711 0.70 FABP4 (0.45) KMT2APTGS1PTGS2APPPDE4D
SCHEMBL31535452 0.69 KMT2A (0.44) KMT2APTGS1PTGS2THRATHRB
SCHEMBL15904622 0.68 KMT2A (0.46) KMT2APTGS1PTGS2THRATHRB
SCHEMBL10792749 0.68 KMT2A (0.46) KMT2APTGS1PTGS2THRATHRB
SCHEMBL1134721 0.67 KMT2A (0.45) KMT2APTGS1PTGS2THRATHRB
SCHEMBL28106033 0.66 DHODH (0.38) APPSCN9AGLADHODH
SCHEMBL27906539 0.66 KMT2A (0.41) KMT2ATHRATHRBPDE4DPDE4A

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 12 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-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-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 (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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C KMT2A 2521/4885PTGS1 114/4885PTGS2 185/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KMT2A 2429/4885PTGS1 103/4885PTGS2 182/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KMT2A 2662/4885PTGS1 108/4885PTGS2 174/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KMT2A 2662/4885PTGS1 108/4885PTGS2 174/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KMT2A 2429/4885PTGS1 103/4885PTGS2 182/4885

“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.