SCHEMBL13596378

SCHEMBL13596378

COc1cc(F)c(C(=O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MYC P01106 1/20 0.42
FABP4 P15090 2/20 0.42
PTGS2 P35354 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40

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
SCHEMBL1263693 0.93 LCK (0.50) HTTMAPK1RAB9ALMNALCK
SCHEMBL1766160 0.86 LCK (0.60) HTTMAPK1RAB9ALMNALCK
SCHEMBL5466375 0.85 ALDH1A1 (0.51) HTTMAPK1RAB9ALMNALCK
SCHEMBL13927530 0.85 HTT (0.47) HTTMAPK1RAB9ALMNAALDH1A1
SCHEMBL17700509 0.85 HTT (0.55) HTTMAPK1RAB9ALMNALCK
SCHEMBL23703855 0.84 KDM4E (0.47) HTTMAPK1RAB9ALMNAALDH1A1
SCHEMBL13596339 0.84 RAB9A (0.39) HTTMAPK1RAB9ALMNALCK
SCHEMBL15492267 0.84 PARP10 (0.45) HTTMAPK1RAB9ALMNAALDH1A1
SCHEMBL13596372 0.82 ALDH1A1 (0.56) HTTMAPK1RAB9ALCKFYN
SCHEMBL2139729 0.82 LCK (0.50) HTTMAPK1RAB9ALMNALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-10-22 US disclosed
US-20130310595-A1 Method for Producing 4-Oxoquinoline Compound JAPAN TOBACCO INC. (JP) 2013-11-21 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-8383819-B2 Method for producing 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-02-26 US disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 US disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 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 (4 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-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 HTT 4346/4885MAPK1 1547/4885RAB9A 2019/4885
US-20130310595-A1 Method for Producing 4-Oxoquinoline Compound IMPDH1, IMPDH2, CDK20 HTT 4346/4885MAPK1 1547/4885RAB9A 2019/4885
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND CYP4X1, CYP3A4, CYP3A7 HTT 4497/4885MAPK1 2032/4885RAB9A 2154/4885
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 HTT 4346/4885MAPK1 1547/4885RAB9A 2019/4885

“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.