SCHEMBL6696596

SCHEMBL6696596

COc1ccc2cc(Oc3cc(N)c(F)cc3C#N)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NQO1 P15559 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6833436 0.90 GAA (0.53) ARPOLBGAACYP11B1CYP11B2
SCHEMBL6694769 0.88 GAA (0.53) ARGAAMEN1KMT2AMAPT
SCHEMBL29559694 0.79 KDM4E (0.53) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL2596435 0.79 KDM4E (0.53) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL15832074 0.76 POLB (0.51) ARPOLBGAACYP11B1CYP11B2
SCHEMBL15832052 0.76 SLC22A12 (0.52) ARPOLBGAA
SCHEMBL627816 0.72 ALDH1A1 (0.52) ARPOLBGAANQO1KDM4E
SCHEMBL2539990 0.72 CYP11B1 (0.58) ARPOLBGAACYP11B1CYP11B2
SCHEMBL23163257 0.72 BCAT2 (0.50) ARKDM4EUSP2ALDH1A1
SCHEMBL24824091 0.72 AR (0.51) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029735-A1 Substituted herbicidal phenyluracils ANDREE ROLAND (DE) 2004-02-12 US disclosed
US-6624120-B1 Such as 1-(4-cyano-2-fluoro-5-(6-methoxy-naphthalen-2-yl-oxy)-phenyl)-2,6-dioxo -1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 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-20040029735-A1 Substituted herbicidal phenyluracils DDT, MTX1, MTX2 AR 4347/4885POLB 1551/4885GAA 529/4885

“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.