SCHEMBL5494342

SCHEMBL5494342

CC/C(C=O)=C\c1ccc(OC)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PTGS1 P23219 3/20 0.55
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CYP1A2 P05177 1/20 0.49
FDPS P14324 1/20 0.49
PTGS2 P35354 2/20 0.48
NQO2 P16083 1/20 0.48
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLIN1 O60240 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5494346 1.00 ALDH1A1 (0.56) ALDH1A1TSHRGAATDP1PTGS1
SCHEMBL4273021 0.82 ALDH1A1 (0.61) ALDH1A1GAATDP1PTGS1PKM
SCHEMBL4273025 0.82 ALDH1A1 (0.61) ALDH1A1GAATDP1PTGS1PKM
SCHEMBL6331557 0.80 ALDH1A1 (0.63) ALDH1A1TSHRGAATDP1PTGS1
SCHEMBL6331553 0.80 ALDH1A1 (0.63) ALDH1A1TSHRGAATDP1PTGS1
SCHEMBL8588648 0.79 GAA (0.58) ALDH1A1TSHRGAATDP1PTGS1
SCHEMBL5492739 0.78 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A2NQO2KDM4E
SCHEMBL566949 0.78 GAA (0.65) ALDH1A1TSHRGAATDP1PTGS1
SCHEMBL5492744 0.78 ALDH1A1 (0.52) ALDH1A1TSHRCYP1A2NQO2KDM4E
SCHEMBL566948 0.78 GAA (0.65) ALDH1A1TSHRGAATDP1PTGS1

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 ALDH1A1 265/4885TSHR 3919/4885GAA 1844/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC ALDH1A1 265/4885TSHR 3919/4885GAA 1844/4885

“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.