SCHEMBL6589469

SCHEMBL6589469

Cc1cc(C#N)cc(C)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
GPR35 Q9HC97 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL6593052 0.88 RXRA (0.36) RXRARXRGFFAR1KDM4EMAPT
SCHEMBL1969526 0.81 FFAR1 (0.50) FFAR1KDM4EGAAMEN1KMT2A
SCHEMBL6829455 0.80 HSP90AB1 (0.41) KDM4EMAPTGPR35CYP1A2CYP3A4
Water SCHEMBL28215001 0.79 KDM4E (0.56) KDM4EMAPTPOLBPTGDR2CYP1A2
SCHEMBL16585532 0.79 KDM4E (0.38) FFAR1KDM4EMAPTPOLBCYP1A2
SCHEMBL509455 0.79 RXRA (0.39) RXRARXRGPTGDR2GPR35TTR
SCHEMBL27033892 0.78 GPR35 (0.40) FFAR1GPR35MRGPRX4TTRALB
SCHEMBL509440 0.77 KDM4E (0.58) KDM4EMAPTPOLBPTGDR2CYP1A2
SCHEMBL17681853 0.77 AKR1B1 (0.52) RXRARXRGFFAR1PTGDR2GPR35
SCHEMBL19475190 0.77 RXRA (0.38) RXRARXRGKDM4EMAPTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809629-B1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-06-30 EP disclosed
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 US disclosed
EP-0809629-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-12-03 EP disclosed
WO-1996025395-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-22 WO 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 (1 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-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 RXRA 316/4885RXRG 164/4885FFAR1 1282/4885

“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.