SCHEMBL1478090

SCHEMBL1478090

COC(=O)C(C)c1ccc(Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LPAR1 Q92633 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
FLT1 P17948 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
SCHEMBL27817027 0.84 MEN1 (0.40) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL2130305 0.83 APLNR (0.50) MT-CO2MAPTNPC1RAB9AALDH1A1
SCHEMBL8960120 0.82 SMN1; SMN2 (0.45) MT-CO2TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL8157598 0.82 GRM1 (0.41) ALDH1A1KMT2AMEN1LMNAPTGS1
SCHEMBL1678995 0.82 GRM1 (0.41) ALDH1A1KMT2AMEN1LMNAPTGS1
SCHEMBL8960117 0.82 SMN1; SMN2 (0.45) MT-CO2TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL8321938 0.81 HPGD (0.47) MT-CO2MAPTRAB9APOLBKMT2A
SCHEMBL6829540 0.81 ALDH1A1 (0.40) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL21096066 0.80 ALDH1A1 (0.41) MT-CO2MAPTNPC1RAB9AALDH1A1
SCHEMBL18560451 0.80 ALDH1A1 (0.48) MAPTNPC1RAB9AALDH1A1POLB

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
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8518985-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2013-08-27 US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-8193120-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2012-06-05 US disclosed
CN-102190621-A N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2011-09-21 CN disclosed
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-06-16 US disclosed
CN-1832938-B N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2011-05-25 CN disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 US disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
CN-1832938-A N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2006-09-13 CN disclosed
US-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-20 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 (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-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides PDHX, AKR1C3, AKR1A1 MT-CO2 234/4885TAS1R3 4261/4885TAS1R1 4129/4885
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E MT-CO2 1387/4885TAS1R3 4844/4885TAS1R1 4860/4885
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 MT-CO2 267/4885TAS1R3 4767/4885TAS1R1 4760/4885
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 MT-CO2 267/4885TAS1R3 4767/4885TAS1R1 4760/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E MT-CO2 1387/4885TAS1R3 4844/4885TAS1R1 4860/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E MT-CO2 1387/4885TAS1R3 4844/4885TAS1R1 4860/4885
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, AKR1C4, AKR1C2 MT-CO2 598/4885TAS1R3 4773/4885TAS1R1 4842/4885

“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.