SCHEMBL104594

SCHEMBL104594

CC(C)CCc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.55
RARB P10826 7/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TAS2R14 Q9NYV8 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Dimethylamine SCHEMBL1401396 0.94 GRIN2D (0.53) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL27366899 0.94 GRIN2D (0.53) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL11654726 0.94 RARB (0.62) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL24370665 0.89 GRIN2D (0.71) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL26298725 0.87 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL10356640 0.85 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL10356210 0.85 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL10356173 0.85 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL10356642 0.85 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1
SCHEMBL825507 0.85 ALDH1A1 (0.52) GRIN2DGRIN2AGRIN2BGRIN2CMAPK1

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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 US disclosed
EP-1270258-B1 SUPPORTING BODY FOR LITHOGRAPHY BLOCK AND ORIGINAL LITHOGRAPHY BLOCK FUJIFILM CORP (JP) 2007-04-04 EP disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
EP-0790262-B1 PROPYLENE-ETHYLENE COPOLYMER COMPOSITIONS AND PROCESS FOR THE PRODUCTION THEREOF CHISSO CORP (JP) 2000-05-10 EP disclosed
US-6005034-A POLYMER MELTS OF ETHYLENE-PROPYLENE COPOLYMERS CHISSO CORPOATION (JP) 1999-12-21 US disclosed
EP-0790262-A1 PROPYLENE-ETHYLENE COPOLYMER COMPOSITIONS AND PROCESS FOR THE PRODUCTION THEREOF CHISSO CORPORATION (JP) 1997-08-20 EP disclosed
EP-0104813-A1 Process of manufacturing diaryl esters of dicarboxylic acids CELANESE CORPORATION (US) 1984-04-04 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 (7 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 GRIN2D 1381/4885GRIN2A 205/4885GRIN2B 478/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 GRIN2D 236/4885GRIN2A 80/4885GRIN2B 76/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 GRIN2D 4417/4885GRIN2A 4602/4885GRIN2B 4118/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 GRIN2D 4396/4885GRIN2A 4435/4885GRIN2B 4079/4885
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 GRIN2D 161/4885GRIN2A 139/4885GRIN2B 94/4885
US-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C GRIN2D 1414/4885GRIN2A 1219/4885GRIN2B 1082/4885
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN GRIN2D 4767/4885GRIN2A 4634/4885GRIN2B 4509/4885

“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.