SCHEMBL696461

SCHEMBL696461

CC(=O)c1cccc(C)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.44
BRPF1 P55201 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PDK2 Q15119 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
MYC P01106 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5962049 0.85 KDM4E (0.55) ALDH1A1HPGDKDM4EHSD17B10MYC
SCHEMBL16950507 0.84 TRPA1 (0.37) P2RX1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1267037 0.83 PARP1 (0.43) P2RX1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL31678934 0.83 PARP1 (0.43) P2RX1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL24445835 0.81 THRB (0.47) P2RX1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2001643 0.81 LMNA (0.46) PDK2RXFP1TAS2R14LMNA
SCHEMBL26738572 0.81 P2RX1 (0.35) P2RX1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28119410 0.80 GAA (0.49) P2RX1ALDH1A1HPGDKDM4EPDK2
SCHEMBL27753891 0.80 PDK2 (0.44) P2RX1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7784256 0.79 P2RX1 (0.43) P2RX1ALDH1A1HPGDKDM4EPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX1 983/4885BRPF1 1477/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX1 983/4885BRPF1 1477/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX1 983/4885BRPF1 1477/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX1 983/4885BRPF1 1477/4885ALDH1A1 617/4885

“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.