SCHEMBL17616698

SCHEMBL17616698

Cc1ccc(=O)oc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 2/20 0.46
PGR P06401 4/20 0.42
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALPL P05186 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2460103 0.70 PTGS2 (0.45) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL23925955 0.69 HPGD (0.44) KDM4EKMT2AALDH1A1TDP1CYP3A4
SCHEMBL981801 0.68 ABCG2 (0.40) MAPK13MAPK12MAPK11MAPK14ABCG2
SCHEMBL10205941 0.68 MAOB (0.52) ABCG2KDM4EKMT2AALDH1A1CYP3A4
SCHEMBL15030960 0.67
SCHEMBL48083 0.67 KDM4E (0.44) CTRCABCG2KDM4EKMT2AALDH1A1
SCHEMBL4348132 0.67 NQO2 (0.48) MAPK13MAPK12MAPK11MAPK14ABCG2
SCHEMBL10806689 0.67 CYP3A4 (0.52) ABCG2KDM4EKMT2AALDH1A1TDP1
SCHEMBL15842321 0.67 ALDH1A1 (0.54) PGRKDM4EKMT2AALDH1A1TDP1
SCHEMBL10166445 0.67 CHRM2 (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-07-19 US disclosed
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 US disclosed
US-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 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 (3 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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CTRC 1271/4885PGR 1307/4885MAPK13 4689/4885
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CTRC 1271/4885PGR 1307/4885MAPK13 4689/4885
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CTRC 1271/4885PGR 1307/4885MAPK13 4689/4885

“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.