SCHEMBL4210042

SCHEMBL4210042

COCOc1cc(C(F)(F)F)ccc1C(=O)N(C)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MLYCD O95822 1/20 0.43
CFTR P13569 1/20 0.41
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
SCN8A Q9UQD0 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
EGFR P00533 1/20 0.39
GAA P10253 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL955961 0.88 CYP2C19 (0.49) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL955308 0.86 PTGDR2 (0.48) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL955381 0.86 CYP1A1 (0.45) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL30214866 0.85 KDM4E (0.48) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL17100247 0.83 FFAR4 (0.40) ALDH1A1CYP2C19MLYCDKMT2ANPC1
SCHEMBL3062695 0.82 KDM4E (0.62) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL4215996 0.82 CYP2C19 (0.51) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL25085896 0.81 KDM4E (0.47) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL30994941 0.81 KDM4E (0.47) KDM4EHPGDALDH1A1CYP2C19USP2
SCHEMBL4097250 0.81 MAPT (0.50) ALDH1A1CYP2C19USP2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R KDM4E 881/4885HPGD 223/4885ALDH1A1 3446/4885

“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.