SCHEMBL6138611

SCHEMBL6138611

CC(=O)C(C)(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP8 P22894 1/20 0.35
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
CA2 P00918 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
TSHR P16473 1/20 0.30

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
Hydrogen Peroxide SCHEMBL5147765 0.97 ALDH1A1 (0.38) ALDH1A1TDP1MMP8CYP2C19GAA
SCHEMBL11615295 0.81 CYP1A2 (0.33) ALDH1A1TDP1GAATSHR
SCHEMBL19111943 0.81 ALDH1A1 (0.32) ALDH1A1TDP1GAA
SCHEMBL18112355 0.80 MMP8 (0.36) ALDH1A1TDP1MMP8CYP2C19CA2
SCHEMBL10562537 0.79 ALDH1A1 (0.31) ALDH1A1TDP1GAA
SCHEMBL17298363 0.79 FDPS (0.41) ALDH1A1TDP1GAATSHR
SCHEMBL14215959 0.79 ALDH1A1 (0.31) ALDH1A1TDP1GAA
SCHEMBL17298362 0.79 FDPS (0.41) ALDH1A1TDP1GAATSHR
SCHEMBL12557328 0.79 FDPS (0.41) ALDH1A1TDP1GAATSHR
SCHEMBL301722 0.78 ACACB (0.40) ALDH1A1TDP1MMP8CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324554-B1 IMPROVEMENTS IN RUBBER FOR MEDICAL OR PHARMACEUTICAL ARTICLES DAIKYO GOMU SEIKO LTD. (JP) 1992-11-11 EP claimed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-8637557-B2 Aminothiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-01-28 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2013-07-04 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20110275627-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed
EP-1231199-B1 Process for the condensation of aldehydes with ketones by multiphase reaction OXENO OLEFINCHEMIE GMBH (DE) 2005-07-20 EP disclosed
JP-2005112774-A METHOD FOR PRODUCING 3, 3, 5-TRIMETHYLCYCLOHEXANONE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY 2005-04-28 JP disclosed
US-6603047-B2 Preparation of alpha,beta-unsaturated ketones by condensation of aldehydes with ketones OXENO OLEFINCHEMIE GMBH (DE) 2003-08-05 US disclosed
US-20020161264-A1 Condensation of aldehydes with ketones by multiphase reaction DE GUSSA AG (DE) 2002-10-31 US disclosed
EP-1231199-A1 Process for the condensation of aldehydes with ketones by multiphase reaction Oxeno Olefinchemie GmbH (DE) 2002-08-14 EP disclosed
EP-0680095-A2 Light-transmissive resin sealed semiconductor CANON KABUSHIKI KAISHA (JP) 1995-11-02 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 (9 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-20120220767-A1 AMINOTHIAZOLE DERIVATIVE AKT3, AKT2, JAK1 ALDH1A1 1711/4885TDP1 2348/4885MMP8 1228/4885
US-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC ALDH1A1 3067/4885TDP1 4364/4885MMP8 18/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 ALDH1A1 3298/4885TDP1 678/4885MMP8 1566/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 2338/4885TDP1 4535/4885MMP8 1030/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 2338/4885TDP1 4535/4885MMP8 1030/4885
US-20110275627-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S ALDH1A1 1602/4885TDP1 2890/4885MMP8 1164/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 ALDH1A1 353/4885TDP1 1091/4885MMP8 452/4885
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME P2RX3, P2RX4, P2RX2 ALDH1A1 2167/4885TDP1 3549/4885MMP8 3689/4885
US-20020161264-A1 Condensation of aldehydes with ketones by multiphase reaction COASY, ACACB, ACACA ALDH1A1 61/4885TDP1 3732/4885MMP8 4236/4885

“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.