SCHEMBL3705264

SCHEMBL3705264

CC(C)(C)c1cc2ccc(O)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
CA2 P00918 1/20 0.46
ALOX15 P16050 2/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
RAD51 Q06609 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
CDK5 Q00535 5/20 0.41
CDK5R1 Q15078 5/20 0.41
FLT3 P36888 3/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLAU P00749 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
SCHEMBL12025195 0.85 FLT3 (0.50) TYRCA2ALOX15GAAUSP2
SCHEMBL8957566 0.78 KIF11 (0.46) ALOX15CDK5FLT3ALDH1A1HSD17B10
SCHEMBL4568034 0.78 DAO (0.49) FLT3ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL4568037 0.78 DAO (0.49) ALOX15HRH4FLT3ALDH1A1LMNA
SCHEMBL30648021 0.78 CA2 (0.50) TYRCA2ALOX15GAAUSP2
SCHEMBL93623 0.78 CA2 (0.50) TYRCA2ALOX15GAAUSP2
SCHEMBL398009 0.77 CYP2A6 (0.44) GAAUSP2HRH4ALDH1A1HTT
SCHEMBL4568030 0.77 DAO (0.47) FLT3NFE2L2KDM4EHPGDDAO
SCHEMBL3922415 0.75 CASP3 (0.54) NPSR1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4014895 0.74 MEN1 (0.53) CA2HRH4FLT3ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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 (8 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2158/4885CA2 939/4885ALOX15 2440/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2158/4885CA2 939/4885ALOX15 2440/4885
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R TYR 893/4885CA2 731/4885ALOX15 232/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2158/4885CA2 939/4885ALOX15 2440/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2158/4885CA2 939/4885ALOX15 2440/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2127/4885CA2 919/4885ALOX15 2469/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TYR 2158/4885CA2 939/4885ALOX15 2440/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 TYR 1850/4885CA2 1070/4885ALOX15 2547/4885

“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.