SCHEMBL5513864

SCHEMBL5513864

CC(C)C1CCCCC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 2/20 0.42
EPHX1 P07099 1/20 0.41
ACE P12821 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 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
SCHEMBL12868799 1.00 SLC1A2 (0.42) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL14447247 1.00 SLC1A2 (0.42) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL15592462 1.00 SLC1A2 (0.42) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL10136513 1.00 SLC1A2 (0.42) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL11295143 0.98 SLC1A2 (0.41) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL10289797 0.95 ACE (0.44) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL14473782 0.95 ACE (0.44) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL14072902 0.95 ACE (0.44) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL17628741 0.95 ACE (0.44) SLC1A2SLC1A1EPHX1ACEKDM4E
SCHEMBL14072906 0.95 ACE (0.44) SLC1A2SLC1A1EPHX1ACEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4606925-A Flavoring with alkyl-substituted cyclohexyl and cyclohexenyl carboxylic acids GIVAUDAN CORPORATION (US) 1986-08-19 US claimed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
WO-2016106624-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
EP-1243572-B1 PROCESS FOR THE PREPARATION OF CYCLOHEXANOL ASAHI CHEMICAL IND (JP) 2015-03-25 EP disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 US disclosed
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 US disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-6552235-B2 Catalyzing hydration reaction of cyclohexene with water using a solid catalyst in a solvent to increase the yield ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
US-20030018223-A1 Process for the preparation of cyclohexanol ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-01-23 US disclosed
EP-1243572-A1 PROCESS FOR THE PREPARATION OF CYCLOHEXANOL Asahi Kasei Kabushiki Kaisha (JP) 2002-09-25 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 (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-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF HAVCR2, FURIN, SARS1 SLC1A2 4251/4885SLC1A1 3644/4885EPHX1 1098/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 SLC1A2 4103/4885SLC1A1 4102/4885EPHX1 714/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 SLC1A2 4464/4885SLC1A1 4205/4885EPHX1 891/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SLC1A2 4759/4885SLC1A1 4345/4885EPHX1 1446/4885

“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.