SCHEMBL15287102

SCHEMBL15287102

Cc1cc(C)c2c(c1)C(C=O)CCC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.57
KDM4C Q9H3R0 1/20 0.37
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
DRD2 P14416 2/20 0.30
DRD1 P21728 2/20 0.30
KMT2A Q03164 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
SCHEMBL27723139 0.85 UGT2B17 (0.41) UGT2B17
SCHEMBL24542980 0.85 UGT2B17 (0.41) UGT2B17
SCHEMBL29673089 0.85 UGT2B17 (0.41) UGT2B17
SCHEMBL27734788 0.79 UGT2B17 (0.57) UGT2B17KDM4CSIGMAR1SMN1; SMN2
SCHEMBL27734724 0.76 ADRA2A (0.40) UGT2B17SIGMAR1TAS1R3TAS1R1TAS1R2
SCHEMBL27784230 0.76 UGT2B17 (0.32) UGT2B17
SCHEMBL5174356 0.76 UGT2B17 (0.53) UGT2B17KDM4CSIGMAR1KMT2A
SCHEMBL13229169 0.75 KMT2A (0.38) UGT2B17DRD2DRD1KMT2A
SCHEMBL5272877 0.73 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL703510 0.73 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108467414-B Material for organic light emitting diode 通用显示公司 2022-09-23 CN disclosed
US-9686985-B2 Fungicide N-cycloalkyl-N-bicyclicmethylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2831048-B1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2017-04-26 EP disclosed
US-20160366885-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH 2016-12-22 US disclosed
US-9468211-B2 Fungicide N-cycloalkyl-N-bicyclicmethylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-18 US disclosed
US-20150327548-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-19 US disclosed
EP-2831048-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-02-04 EP disclosed
CN-101855213-B Therapeutic compounds ALLERGAN INC 2014-09-10 CN disclosed
WO-2013144086-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 WO disclosed
CN-103275058-A Novel flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC 2013-09-04 CN disclosed
CN-101400336-B Novel flavoring agents, taste modifiers, tastants, taste enhancers, umami or sweeteners and/or enhancers and uses thereof SENOMYX INC 2013-06-05 CN disclosed
CN-102911213-A Material for organic light emitting diode UNIVERSAL DISPLAY CORP 2013-02-06 CN disclosed
CN-101400336-A Novel flavoring agents, taste modifiers, tastants, taste enhancers, umami or sweeteners and/or enhancers and uses thereof SENOMYX INC (US) 2009-04-01 CN disclosed
CN-101203142-A Aromatic amides and ureas and their uses as sweet and/or delicate flavor modifiers, flavouring agents and taste enhancers SENOMYX INC (US) 2008-06-18 CN disclosed
CN-1308311-C Novel pyridine- and quinoline-derivatives HOFFMANN LA ROCHE (CH) 2007-04-04 CN disclosed
CN-1630639-A novel pyridine-and quinoline-derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN 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 (2 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-20160366885-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES CBR3, CNPY2, CYP51A1 UGT2B17 1157/4885KDM4C 362/4885SIGMAR1 3236/4885
US-20150327548-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLICMETHYLENE-CARBOXAMIDE DERIVATIVES CBR3, CNPY2, CYP51A1 UGT2B17 1157/4885KDM4C 362/4885SIGMAR1 3236/4885

“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.