SCHEMBL5493607

SCHEMBL5493607

CCC(/C=C/C(=O)O)=C\c1ccc(OC)c(OC)c1.NC(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACHE P22303 5/20 0.47
APP P05067 3/20 0.47
BCHE P06276 3/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
SNCA P37840 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4273021 0.86 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL4273025 0.86 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL5498063 0.85 KDM4E (0.67) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL5493874 0.81 KDM4E (0.47) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL5489575 0.81 RAB9A (0.52) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL5492796 0.81 RAB9A (0.52) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
Pyrrole SCHEMBL5498065 0.80 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL5493124 0.76 PTPN1 (0.40) ALDH1A1HPGDTDP1TRPV1
SCHEMBL5815295 0.73 TRPV1 (0.50) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL5497203 0.73 TRPV1 (0.50) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2

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 5 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
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 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 1523/4885ALDH1A1 265/4885KMT2A 4113/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC KDM4E 1523/4885ALDH1A1 265/4885KMT2A 4113/4885

“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.