SCHEMBL6403165

SCHEMBL6403165

CC(=O)Oc1cc(CBr)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.62
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
USP2 O75604 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS1 P23219 3/20 0.53
TSHR P16473 3/20 0.53
PTGS2 P35354 2/20 0.53
ESR1 P03372 2/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
GGT1 P19440 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL6401352 0.89 CFD (0.79) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL27623501 0.88 CFD (0.59) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL16719152 0.87 CFD (0.76) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8617099 0.85 MAPT (0.65) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL31343490 0.84 CFD (0.48) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8003987 0.84 CFD (0.48) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL16719151 0.84 CFD (0.88) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL506455 0.83 PPARG (0.61) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7658382 0.83 CFD (0.56) CFDKDM4EALDH1A1PTGS1TSHR
SCHEMBL9417955 0.82 CYP4F2 (0.59) CFDKDM4EHSD17B10USP2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148554-A1 Anti-inflammatory and anti-thrombotic compounds and their compositions ZHANG DON (US) 2005-07-07 US disclosed
WO-2004062598-A2 ANTI-INFLAMMATORY AND ANTI-THROMBOTIC COMPOUNDS AND THEIR COMPOSITIONS BETA PHARMA, INC. (US) 2004-07-29 WO disclosed
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 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-20050148554-A1 Anti-inflammatory and anti-thrombotic compounds and their compositions PTGS1, PTGS2, PTGER1 CFD 117/4885KDM4E 3180/4885ALDH1A1 567/4885

“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.