SCHEMBL6507534

SCHEMBL6507534

C#CC(O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.45
CNR2 P34972 2/20 0.41
P2RX7 Q99572 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
NOTUM Q6P988 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NFKB1 P19838 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34

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
SCHEMBL28798640 0.82 P2RX7 (0.40) ACP3P2RX7NOTUMIDO1TDO2
SCHEMBL30903830 0.79 ACP3 (0.50) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL9776265 0.79 ACP3 (0.50) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL7570359 0.79 ACP3 (0.50) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL8505653 0.76 ACP3 (0.41) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL4214299 0.75 ACP3 (0.47) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL13168657 0.75 ACP3 (0.47) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL308175 0.75 ACP3 (0.47) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL10548284 0.75 CES2 (0.44) CNR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL29580255 0.75 ACP3 (0.47) ACP3CNR2P2RX7OPRM1OPRD1

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
JP-2005015400-A TRIFLUOROMETHYLCINNAMYL ALCOHOL AND ITS MANUFACTURING METHOD CENTRAL GLASS CO LTD 2005-01-20 JP disclosed
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 ACP3 4172/4885CNR2 17/4885P2RX7 409/4885

“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.