SCHEMBL5497310

SCHEMBL5497310

CC/C(C=O)=C\c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
ADAM17 P78536 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
ATM Q13315 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.46
GABRA1 P14867 1/20 0.45

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
SCHEMBL5497313 1.00 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL5494847 0.91 ATM (0.49) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL5494845 0.91 ATM (0.49) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL5495723 0.88 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL9664652 0.88 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL5495725 0.88 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL9665548 0.86 ALDH1A1 (0.50) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL9665555 0.86 ALDH1A1 (0.50) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL5489818 0.83 CYP1A2 (0.57) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2
SCHEMBL5492850 0.83 CYP1A2 (0.57) ALDH1A1TDP1HSD17B10CYP3A4CYP1A2

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 265/4885TDP1 2760/4885HSD17B10 620/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC ALDH1A1 265/4885TDP1 2760/4885HSD17B10 620/4885

“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.