SCHEMBL4516137

SCHEMBL4516137

CC(=O)c1cc(C(C)(C)C)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXRB P28702 1/20 0.41
NR1H4 Q96RI1 4/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL7218153 0.86 TDP1 (0.50) TDP1TP53THRBSMN1; SMN2HSP90AA1
SCHEMBL6581882 0.84 HSP90AA1 (0.60) TDP1SMN1; SMN2HSP90AA1HSP90AB1LMNA
SCHEMBL10419228 0.84 TDP1 (0.57) TDP1HSP90AA1HSP90AB1LMNAALDH1A1
SCHEMBL15828702 0.82 L3MBTL1 (0.44) TDP1TP53THRBSMN1; SMN2HSP90AA1
SCHEMBL3925394 0.82 CES2 (0.52) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL29339596 0.80 ALDH1A1 (0.47) TDP1TP53THRBSMN1; SMN2HSP90AA1
SCHEMBL13206086 0.79 KIF11 (0.48) TDP1TP53THRBSMN1; SMN2HSP90AA1
SCHEMBL25800159 0.79 NR1H4 (0.47) TDP1TP53THRBSMN1; SMN2HSP90AA1
SCHEMBL24126313 0.78 CYP2C19 (0.45) TDP1SMN1; SMN2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL17695157 0.78 TDP1 (0.44) TDP1SMN1; SMN2HSP90AA1HSP90AB1ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US 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
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2014-12-18 US disclosed
US-8779147-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2014-07-15 US disclosed
US-8080666-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2011-12-20 US disclosed
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-01-06 US disclosed
US-20110003799-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2011-01-06 US disclosed
US-7510822-B2 Stimulation sensitive composition and compound FUJIFILM CORPORATION (JP) 2009-03-31 US disclosed
US-20030224288-A1 Stimulation sensitive composition and compound FUJI PHOTO FILM CO., LTD. 2003-12-04 US disclosed
EP-1353225-A2 Radiation sensitive composition and compound FUJI PHOTO FILM CO., LTD. (JP) 2003-10-15 EP disclosed
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed
US-4562067-A Preparation of novel dibenzoylmethane derivative sunscreen agents HAARMANN & REIMER GMBH (DE) 1985-12-31 US disclosed
EP-0114607-B1 DIBENZOYL METHANE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE HAARMANN & REIMER GMBH (DE) 1985-09-04 EP 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 TDP1 2309/4885TP53 3471/4885THRB 4389/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TDP1 2309/4885TP53 3471/4885THRB 4389/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 TDP1 2309/4885TP53 3471/4885THRB 4389/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS TDP1 1264/4885TP53 1216/4885THRB 3642/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP TDP1 2303/4885TP53 3484/4885THRB 4400/4885
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ERBB4, GRK4, ROS1 TDP1 3013/4885TP53 192/4885THRB 408/4885
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 TDP1 2533/4885TP53 682/4885THRB 678/4885
US-20110003799-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 TDP1 2533/4885TP53 682/4885THRB 678/4885

“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.