SCHEMBL9924223

SCHEMBL9924223

CC(C)c1cccc2c1CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KRAS P01116 3/20 0.39
SOS1 Q07889 3/20 0.39
DPP4 P27487 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LMNA P02545 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL30872206 1.00 ALDH1A1 (0.40) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL10216198 0.89 CYP2A6 (0.44) HPGDKDM4EDPP4NR1H2NR1H3
SCHEMBL8200797 0.87 DPP4 (0.40) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL27531475 0.85 ALDH1A1 (0.38) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL23809196 0.82 ALDH1A1 (0.43) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL25628271 0.81 KRAS (0.43) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL287031 0.81 ALDH1A1 (0.42) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL27506477 0.77 ALDH1A1 (0.42) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL12930760 0.77 ALDH1A1 (0.45) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL5541367 0.75 ALDH1A1 (0.41) ALDH1A1GAAHPGDKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
WO-2022271801-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
US-9878995-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 US disclosed
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 US disclosed
US-7605178-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-10-20 US disclosed
US-7592366-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-09-22 US disclosed
US-20080300269-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2008-12-04 US disclosed
US-7429669-B2 Therapeutic compounds ALLERGAN, INC. (US) 2008-09-30 US disclosed
US-20080119538-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-05-22 US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 US disclosed
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds ALLERGAN, INC. 2008-01-17 US disclosed
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists ALLERGAN, INC. 2007-12-20 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 (14 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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 ALDH1A1 365/4885GAA 1319/4885HPGD 4316/4885
US-20080300269-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO ALDH1A1 1004/4885GAA 96/4885HPGD 1050/4885
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 ALDH1A1 746/4885GAA 323/4885HPGD 601/4885
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS GBA1, GNAO1, UGT2B7 ALDH1A1 551/4885GAA 29/4885HPGD 1037/4885
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists PTGIR, PTGIS, PTGER2 ALDH1A1 883/4885GAA 3788/4885HPGD 49/4885
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ALDH1A1 408/4885GAA 2309/4885HPGD 2130/4885
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds PTGER2, PTGER1, PTGS2 ALDH1A1 655/4885GAA 3383/4885HPGD 16/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885GAA 4381/4885HPGD 864/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 ALDH1A1 980/4885GAA 1029/4885HPGD 1680/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885GAA 4381/4885HPGD 864/4885
US-20080119538-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, GOT1 ALDH1A1 553/4885GAA 72/4885HPGD 419/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 ALDH1A1 288/4885GAA 1519/4885HPGD 3218/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 ALDH1A1 438/4885GAA 65/4885HPGD 514/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885GAA 4381/4885HPGD 864/4885

“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.