SCHEMBL5493874

SCHEMBL5493874

CCC(/C=C/C(=O)O)=C\c1ccc2c(c1)OCCO2.NC(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TRPV1 Q8NER1 2/20 0.44
HPGD P15428 7/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.43
MAOB P27338 2/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
CTSD P07339 1/20 0.42
ABCB1 P08183 1/20 0.42
ALOX5 P09917 1/20 0.42
GABRA1 P14867 1/20 0.42
MAOA P21397 1/20 0.42
MAPK1 P28482 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL5492796 0.94 RAB9A (0.52) KDM4ENPC1RAB9ATRPV1HPGD
SCHEMBL5489575 0.94 RAB9A (0.52) KDM4ENPC1RAB9ATRPV1HPGD
SCHEMBL5496889 0.87 KDM4E (0.61) KDM4ENPC1RAB9ATRPV1HPGD
SCHEMBL5496886 0.87 KDM4E (0.61) KDM4ENPC1RAB9ATRPV1HPGD
SCHEMBL5497203 0.86 TRPV1 (0.50) KDM4ENPC1RAB9ATRPV1HPGD
SCHEMBL5815295 0.86 TRPV1 (0.50) KDM4ENPC1RAB9ATRPV1HPGD
SCHEMBL5493607 0.81 KDM4E (0.52) KDM4ETRPV1HPGDMAOBALDH1A1
SCHEMBL5493158 0.81 RAB9A (0.56) KDM4ENPC1RAB9ATRPV1HPGD
SCHEMBL5493124 0.80 PTPN1 (0.40) NPC1RAB9ATRPV1HPGDALDH1A1
SCHEMBL5489818 0.80 CYP1A2 (0.57) KDM4EHPGDALDH1A1HSD17B10CYP3A4

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 4 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 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 KDM4E 1523/4885NPC1 3733/4885RAB9A 2057/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC KDM4E 1523/4885NPC1 3733/4885RAB9A 2057/4885

“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.