SCHEMBL23743152

SCHEMBL23743152

COc1ccc(/C=C/c2cnccn2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 16/20 0.63
▸ CYP1B1 Q16678 16/20 0.63
▸ CYP1A2 P05177 16/20 0.63
▸ NFE2L2 Q16236 2/20 0.56
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ CYP2E1 P05181 1/20 0.54
▸ CYP2C8 P10632 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP4B1 P13584 1/20 0.54
▸ CYP2B6 P20813 1/20 0.54
▸ CYP3A5 P20815 1/20 0.54
▸ CYP2A7 P20853 1/20 0.54
▸ CYP3A7 P24462 1/20 0.54

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
SCHEMBL19076218 0.82 HDAC8 (0.52) MEN1MAPTKMT2AHDAC6KDM4E
SCHEMBL23743200 0.81 CYP1A1 (0.67) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL16915478 0.81 RAB9A (0.55) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL16915477 0.81 RAB9A (0.55) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL25706432 0.79 CYP1A2 (1.00) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL19076214 0.79 PDE10A (0.53) CYP1A2CYP3A4CYP2C19MAPTKMT2A
SCHEMBL6129291 0.77 MAPT (0.72) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL3787560 0.77 MAPT (0.72) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL23743171 0.77 CYP1A1 (0.69) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL10423997 0.76 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4

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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 — — 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 CYP1A1 6/4885CYP1B1 2/4885CYP1A2 18/4885

“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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