SCHEMBL7537564

SCHEMBL7537564

O=Cc1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ERN1 O75460 2/20 0.41
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
VDR P11473 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
TSHR P16473 2/20 0.35
AKR1C3 P42330 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7154020 0.85 CYP1A2 (0.39) CYP1A2ERN1MAPTCYP3A4ALDH1A1
SCHEMBL8577009 0.84 CYP1A2 (0.46) CYP1A2MAPTCYP3A4ALDH1A1ALOX15
SCHEMBL27792972 0.84 CYP3A4 (0.47) CYP1A2ERN1MAPTCYP3A4ALDH1A1
SCHEMBL22989 0.77 CYP1A2 (0.61) CYP1A2MAPTCYP3A4ALDH1A1ALOX15
SCHEMBL1988762 0.77 CYP1A2 (0.61) CYP1A2MAPTCYP3A4ALDH1A1ALOX15
SCHEMBL29445717 0.77 CYP1A2 (0.61) CYP1A2MAPTCYP3A4ALDH1A1ALOX15
SCHEMBL11718261 0.76 ALDH1A1 (0.55) MAPTALDH1A1ALOX15CA12CA1
Benzene SCHEMBL28172839 0.76 ALDH1A1 (0.55) MAPTALDH1A1ALOX15CA12CA1
SCHEMBL17740051 0.76 SELL (0.50) CYP1A2ERN1MAPTCYP3A4ALDH1A1
SCHEMBL548393 0.76 CYP1A2 (0.42) CYP1A2ERN1ALDH1A1ALOX15SELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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 (1 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 CYP1A2 1275/4885ERN1 4751/4885MAPT 3240/4885

“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.