SCHEMBL698571

SCHEMBL698571

COc1ccc([CH]c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58
MAOB P27338 1/20 0.58
PTGS1 P23219 1/20 0.49
AHR P35869 1/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NFE2L2 Q16236 2/20 0.47
GPR183 P32249 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL18144100 0.88 CYP1A1 (0.67) CYP1A1CYP1B1MAOBPTGS1AHR
SCHEMBL18144097 0.88 CYP1A1 (0.67) CYP1A1CYP1B1MAOBPTGS1AHR
SCHEMBL255255 0.87 CA1 (0.58) CYP1A1CYP1B1MAOBPTGS1AHR
Hydrogen Sulfide SCHEMBL28878314 0.85 CA1 (0.55) CYP1A1CYP1B1MAOBPTGS1AHR
SCHEMBL7791911 0.83 CYP1A1 (0.54) CYP1A1CYP1B1MAOBPTGS1AHR
SCHEMBL7791907 0.83 CYP1A1 (0.54) CYP1A1CYP1B1MAOBPTGS1AHR
SCHEMBL27883 0.82 CA12 (0.65) CYP1A1CYP1B1PTGS1AHRRAB9A
SCHEMBL2096662 0.82 CYP1A2 (0.52) PTGS1AHRALDH1A1CYP1A2TSHR
SCHEMBL16626095 0.81 RAB9A (0.51) CYP1A1CYP1B1MAOBPTGS1AHR
SCHEMBL3992142 0.81 KIF11 (0.54) CYP1A1CYP1B1MAOBAHRRAB9A

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 12 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
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 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
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP 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
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO 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 (5 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 CYP1A1 30/4885CYP1B1 18/4885MAOB 186/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP1A1 30/4885CYP1B1 18/4885MAOB 186/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP1A1 30/4885CYP1B1 18/4885MAOB 186/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP1A1 30/4885CYP1B1 18/4885MAOB 186/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 CYP1A1 1242/4885CYP1B1 513/4885MAOB 897/4885

“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.