SCHEMBL9945924

SCHEMBL9945924

CCOc1ccc(F)c(B(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ESR2 Q92731 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT6A Q92794 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CACNA1C Q13936 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1348419 0.89 NQO1 (0.46) NQO1FFAR4FFAR1ALDH1A1MAPT
SCHEMBL28050159 0.79 NQO1 (0.46) NQO1FFAR4FFAR1ALDH1A1MAPT
SCHEMBL29958075 0.76 LTA4H (0.43) FFAR4FFAR1MAPTNPC1RAB9A
SCHEMBL1676909 0.76 LTA4H (0.43) FFAR4FFAR1MAPTNPC1RAB9A
SCHEMBL12537785 0.76 MCL1 (0.46) FFAR4FFAR1ALDH1A1MAPTHSD17B10
SCHEMBL9945960 0.76 ALDH1A1 (0.42) FFAR4ALDH1A1KAT6AKMT2A
SCHEMBL1547853 0.75 NQO1 (0.56) NQO1FFAR4FFAR1ALDH1A1MAPT
SCHEMBL2701547 0.74 LTA4H (0.52) NQO1FFAR4FFAR1ALDH1A1MAPT
SCHEMBL4145654 0.73 NQO1 (0.48) NQO1ALDH1A1MAPTHSD17B10ESR2
SCHEMBL16950678 0.73 NQO1 (0.48) NQO1FFAR4FFAR1ALDH1A1MAPT

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 NQO1 3600/4885FFAR4 1371/4885FFAR1 1083/4885

“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.