SCHEMBL21501280

SCHEMBL21501280

COc1cc(C(F)(F)C=O)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ MAPT P10636 5/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38

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
SCHEMBL29130906 0.85 CYP1A1 (0.39) CYP1A1CYP1B1MAPTCYP1A2CYP2C19
SCHEMBL13347572 0.82 MAPT (0.50) CYP1A1CYP1B1MAPTCYP1A2CYP2C19
SCHEMBL3535109 0.81 ALDH1A1 (0.41) CYP1A1CYP1B1MAPTALDH1A1KDM4E
SCHEMBL5348425 0.79 MAPT (0.39) CYP1A1CYP1B1MAPTCYP1A2CYP2C19
SCHEMBL29131004 0.76 MAPT (0.43) CYP1A1CYP1B1MAPTCYP1A2CYP2C19
SCHEMBL11844851 0.76 ALDH1A1 (0.41) MAPTCYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL179444 0.76 CYP2C19 (0.44) MAPTCYP2C19CYP2C9ALDH1A1KDM4E
SCHEMBL21501405 0.76 MAPT (0.43) CYP1A1CYP1B1MAPTCYP1A2CYP2C19
SCHEMBL21501284 0.75 MAPT (0.39) CYP1A1CYP1B1MAPTCYP1A2CYP2C19
SCHEMBL27600022 0.74 NR3C1 (0.41) CYP1A1CYP1B1MAPTALDH1A1

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 CYP1A1 3647/4885CYP1B1 2484/4885MAPT 308/4885

“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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