SCHEMBL71485

SCHEMBL71485

COc1nnc(C(=O)O)cc1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.42
▸ PTGDR2 Q9Y5Y4 7/20 0.40
▸ HCAR2 Q8TDS4 2/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ NSD1 Q96L73 1/20 0.39
▸ NSD3 Q9BZ95 1/20 0.39
▸ LPAR5 Q9H1C0 1/20 0.39
▸ HPSE Q9Y251 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RBP4 P02753 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
Hydrochloric Acid SCHEMBL73025 0.98 KMO (0.41) KMOPTGDR2HCAR2NSD2NSD1
SCHEMBL73024 0.88 PTGDR2 (0.36) KMOPTGDR2NSD2NSD1NSD3
SCHEMBL72221 0.75 HTR2A (0.33) PTGDR2
SCHEMBL27843666 0.74 GPR35 (0.49) TDP1KDM4EHTTL3MBTL1LMNA
SCHEMBL15633752 0.70 CNR2 (0.33) KDM4ERBP4
SCHEMBL31372302 0.69 LCK (0.43) HCAR2TDP1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL25841551 0.69 GCK (0.30) —
SCHEMBL24238698 0.68 HCAR2 (0.43) KMOHCAR2TDP1KMT2AKDM4E
SCHEMBL28144629 0.68 PTGDR2 (0.55) KMOPTGDR2NSD2NSD1NSD3
SCHEMBL31312237 0.67 PTGDR2 (0.38) PTGDR2SMN1; SMN2RBP4LMNAPTGDR

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 KMO 1372/4885PTGDR2 301/4885HCAR2 2017/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KMO 1087/4885PTGDR2 291/4885HCAR2 1965/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KMO 1199/4885PTGDR2 280/4885HCAR2 1914/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KMO 1199/4885PTGDR2 280/4885HCAR2 1914/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KMO 1087/4885PTGDR2 291/4885HCAR2 1965/4885

“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.

Send feedback