SCHEMBL5487655

SCHEMBL5487655

CC(C=CC(=O)O)=Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.54
TRPM8 Q7Z2W7 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL5487654 1.00 CYP1A2 (0.62) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL5808562 1.00 CYP1A2 (0.62) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
Pyrrole SCHEMBL5494473 0.91 CYP1A2 (0.53) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
Methylpiperazine SCHEMBL5498097 0.88 HPGD (0.56) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL5494050 0.87 CYP1A2 (0.49) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL5493158 0.86 RAB9A (0.56) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL15513969 0.86 CYP1A2 (0.50) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL8153633 0.85 ALDH1A1 (0.51) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL15513480 0.84 CYP1A2 (0.48) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL5489818 0.83 CYP1A2 (0.57) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US claimed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US claimed
US-8580752-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTITIC AND INDUSTRIAL RESEARCH (IN) 2013-11-12 US claimed
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-01-04 US claimed
WO-2006103527-A1 AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 WO claimed
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US disclosed
US-8580752-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTITIC AND INDUSTRIAL RESEARCH (IN) 2013-11-12 US disclosed
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-01-04 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-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS DDC, APEH, AADAC CYP1A2 69/4885HSD17B10 620/4885CYP3A4 99/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC CYP1A2 69/4885HSD17B10 620/4885CYP3A4 99/4885

“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.