SCHEMBL698788

SCHEMBL698788

COc1ccc(C(C)(O)c2ncc[nH]2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
KMO O15229 2/20 0.38
MDM2 Q00987 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMPD3 Q9NY59 1/20 0.37
GRM4 Q14833 2/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MC4R P32245 1/20 0.34
ADRA2A P08913 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
SCHEMBL11670141 0.88 CYP19A1 (0.41) CYP19A1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL698661 0.85 CYP19A1 (0.53) CYP19A1MDM2MRGPRX4MEN1KMT2A
SCHEMBL699118 0.82 CYP19A1 (0.50) CYP19A1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL697370 0.81 CYP19A1 (0.51) CYP19A1ALDH1A1MDM2GRM4LMNA
SCHEMBL27753898 0.78 CYP19A1 (0.46) CYP19A1MDM2MRGPRX4
SCHEMBL27733474 0.76 CYP19A1 (0.47) CYP19A1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL27753970 0.75 CYP19A1 (0.46) CYP19A1MDM2
SCHEMBL697717 0.75 CYP19A1 (0.51) CYP19A1CYP3A4MDM2MEN1KMT2A
SCHEMBL11671090 0.74 CYP19A1 (0.43) CYP19A1ALDH1A1CYP3A4GAAMEN1
SCHEMBL697855 0.74 CYP19A1 (0.40) CYP19A1ALDH1A1MAPTCYP1A2CYP3A4

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 4 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-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 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 (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-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885ALDH1A1 617/4885MAPT 316/4885

“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.