SCHEMBL7535150

SCHEMBL7535150

N=C(c1ccc2ccccc2c1)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
KLKB1 P03952 1/20 0.53
KLK1 P06870 1/20 0.53
PRSS1 P07477 1/20 0.53
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B14 Q9BPX1 1/20 0.44
ACMSD Q8TDX5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18535747 0.78 LIG1 (0.61) CYP1A2CYP2C19CES2CES1MEN1
SCHEMBL29709993 0.78 LIG1 (0.61) CYP1A2CYP2C19CES2CES1MEN1
SCHEMBL29132386 0.76 LIG1 (0.59) CYP2D6CYP2C9F2PLGPLAU
SCHEMBL15478714 0.76 PLAU (0.61) CYP1A2CYP2D6CYP2C9CYP2C19F2
SCHEMBL23783818 0.76 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19F2
SCHEMBL50746 0.76 HPGD (0.50) CYP1A2F2PLGPLAUPRSS1
SCHEMBL9130593 0.75 HPGD (0.52) CYP1A2F2PLGPLAUMEN1
SCHEMBL10013617 0.74 CYP2C19 (1.00) CYP1A2CYP2D6CYP2C9CYP2C19F2
SCHEMBL1873768 0.73 NPC1 (0.62) CES2CES1MEN1KMT2ANPC1
SCHEMBL6640806 0.73 NPC1 (0.62) CYP2D6CYP2C9MEN1KMT2ANPC1

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 1275/4885CYP2D6 1331/4885CYP2C9 588/4885

“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.