SCHEMBL1678995

SCHEMBL1678995

Cc1cc(Br)ccc1C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
LMNA P02545 1/20 0.39
FPR2 P25090 2/20 0.38
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37
PPARA Q07869 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL8157598 1.00 GRM1 (0.41) GRM1MEN1KMT2ATDP1CYP1A2
SCHEMBL27817027 0.87 MEN1 (0.40) GRM1MEN1KMT2ATDP1CYP1A2
SCHEMBL3180180 0.85 TDP1 (0.40) MEN1KMT2ATDP1PTGS1PTGS2
SCHEMBL1478090 0.82 MT-CO2 (0.42) MEN1KMT2ATDP1PTGS1PTGS2
SCHEMBL8960497 0.81 TRPA1 (0.44) GRM1MEN1KMT2ATDP1CYP1A2
SCHEMBL8960143 0.81 TRPA1 (0.44) GRM1MEN1KMT2ATDP1CYP1A2
SCHEMBL1679175 0.80 PTGS1 (0.51) MEN1KMT2APTGS1PTGS2FPR2
SCHEMBL1678601 0.80 PTGS1 (0.38) PTGS1PTGS2LMNAFPR2PPARA
SCHEMBL20943279 0.80 MAPK1 (0.46) MEN1KMT2ATDP1PTGS1PTGS2
SCHEMBL8163812 0.80 MAPK1 (0.46) MEN1KMT2ATDP1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP disclosed
CN-103641709-B The ketone enol replaced by haloalkyl methylene phenyl 拜耳知识产权有限责任公司 2017-08-25 CN disclosed
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
US-6759548-B2 PESTICIDES AND HERBICIDES. PHENYL-SUBSTITUTED CYCLIC KETOENOLS, A PLURALITY OF PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 2004-07-06 US disclosed
US-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation FISCHER REINER (DE) 2003-07-31 US disclosed
US-6469196-B2 PESTICIDES AND WEEDKILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols FISCHER REINER (DE) 2002-02-21 US disclosed
US-6251830-B1 PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-5994274-A Dialkyl phenyl halide-substituted keto-enols for use as herbicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1999-11-30 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 (8 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-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation DDT, CYP8B1, CYP1A1 GRM1 717/4885MEN1 4412/4885KMT2A 1001/4885
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 GRM1 4429/4885MEN1 2806/4885KMT2A 1673/4885
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols WEE1, KCNE1, CCNE1 GRM1 2482/4885MEN1 4715/4885KMT2A 1063/4885
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA GRM1 3626/4885MEN1 4267/4885KMT2A 1108/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 GRM1 603/4885MEN1 3842/4885KMT2A 789/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA GRM1 3781/4885MEN1 4328/4885KMT2A 1157/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA GRM1 3781/4885MEN1 4328/4885KMT2A 1157/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA GRM1 3626/4885MEN1 4267/4885KMT2A 1108/4885

“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.