SCHEMBL21501284

SCHEMBL21501284

COc1cc(C(F)(F)CO)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ DYRK1A Q13627 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
SCHEMBL29131004 0.85 MAPT (0.43) MAPTCYP2C19CYP2C9CYP1A2CYP1A1
SCHEMBL13347572 0.80 MAPT (0.50) MAPTCYP2C19CYP2C9CYP1A2CYP1A1
SCHEMBL5348425 0.77 MAPT (0.39) MAPTCYP2C19CYP2C9CYP1A2CYP1A1
SCHEMBL21501280 0.75 CYP1A1 (0.43) MAPTCYP2C19CYP2C9CYP1A2CYP1A1
SCHEMBL179444 0.74 CYP2C19 (0.44) MAPTCYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL11844851 0.74 ALDH1A1 (0.41) MAPTCYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL21501405 0.74 MAPT (0.43) MAPTCYP2C19CYP2C9CYP1A2CYP1A1
SCHEMBL13539409 0.73 TAAR1 (0.40) MAPTCYP2C19CYP2C9CYP1A2CYP3A4
SCHEMBL29130906 0.73 CYP1A1 (0.39) MAPTCYP2C19CYP2C9CYP1A2CYP1A1
SCHEMBL21501283 0.73 CNR2 (0.49) MAPTCYP2C19CYP2C9CYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 — — 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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 MAPT 308/4885CYP2C19 4652/4885CYP2C9 4794/4885

“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.

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