SCHEMBL9946024

SCHEMBL9946024

CCOc1ccc2ccccc2c1B(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
TLR8 Q9NR97 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCR5 P32302 1/20 0.40
DHFR P00374 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 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
SCHEMBL1642006 0.85 ALOX5 (0.50) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL29956903 0.85 ALOX5 (0.50) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL2045141 0.78 ALOX5 (0.65) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL30142113 0.78 ALOX5 (0.65) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL3147510 0.77 ALOX5 (0.51) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL2847505 0.77 ALOX5 (0.51) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL1402620 0.75 ALOX5 (0.50) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL6748588 0.75 ALOX5 (0.50) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL1807920 0.75 NCEH1 (0.53) ALOX5ALDH1A1KDM4EMAPK1HPGD
SCHEMBL1807916 0.75 ALOX5 (0.50) ALOX5ALDH1A1KDM4EMAPK1HPGD

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 ALOX5 2253/4885ALDH1A1 4010/4885KDM4E 4270/4885

“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.