SCHEMBL13199099

SCHEMBL13199099

Cc1cc(C)c(C(=O)O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CSNK2A1 P68400 1/20 0.48
MCL1 Q07820 3/20 0.46
GAA P10253 1/20 0.45
HMGB1 P09429 1/20 0.44
CXCL12 P48061 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44

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
SCHEMBL2142147 0.91 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL3793157 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL3835073 0.86 CSNK2A1 (0.54) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL17171674 0.86 GRM1 (0.56) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL69934 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL238021 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL30932083 0.82 GABRP (0.48) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL29350418 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL19331350 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL70135 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-9889412-B2 Composite gas separation membrane, gas separation module, gas separation apparatus and gas separation method FUJIFILM CORPORATION (JP) 2018-02-13 US disclosed
US-9889412-B2 Composite gas separation membrane, gas separation module, gas separation apparatus and gas separation method FUJIFILM CORPORATION (JP) 2018-02-13 US disclosed
US-20160184779-A1 COMPOSITE GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS AND GAS SEPARATION METHOD FUJIFILM CORPORATION (JP) 2016-06-30 US disclosed
US-20160066578-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS, AND USES THEREOF Akeso Biomedical, Inc. 2016-03-10 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 WO disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO 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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR KDM4E 253/4885ALDH1A1 3942/4885HPGD 3204/4885
US-20160066578-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS, AND USES THEREOF TYR, TH, DDC KDM4E 1578/4885ALDH1A1 1361/4885HPGD 830/4885
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 KDM4E 2650/4885ALDH1A1 181/4885HPGD 4150/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR KDM4E 253/4885ALDH1A1 3942/4885HPGD 3204/4885

“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.