SCHEMBL2286422

SCHEMBL2286422

COc1cc(O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 1.00
▸ CYP3A4 P08684 6/20 1.00
▸ CYP2D6 P10635 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ ABCG2 Q9UNQ0 7/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ HPGD P15428 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ MCL1 Q07820 1/20 0.69
▸ USP2 O75604 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ DPP4 P27487 1/20 0.69
▸ NFKB2 Q00653 1/20 0.69

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
SCHEMBL2286430 1.00 MAPT (1.00) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25199853 1.00 MAPT (1.00) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383814 1.00 MAPT (1.00) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30545301 0.93 MAPT (0.88) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2279010 0.92 MAPT (0.85) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2279017 0.92 MAPT (0.85) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30383546 0.92 MAPT (0.85) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31233074 0.85 MAPT (0.74) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7656609 0.85 MAPT (0.74) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7656614 0.85 MAPT (0.74) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061984-B2 Compounds related to chalcones and benzothienopyrimidines, their synthesis, and uses to treat diseases UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-06-23 — — US disclosed
US-9061984-B2 Compounds related to chalcones and benzothienopyrimidines, their synthesis, and uses to treat diseases UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-06-23 — — US disclosed
US-9061984-B2 Compounds related to chalcones and benzothienopyrimidines, their synthesis, and uses to treat diseases UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-06-23 — — US disclosed
US-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES THE JOHNS HOPKINS UNIVERSITY 2011-08-04 — — US disclosed
US-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES THE JOHNS HOPKINS UNIVERSITY 2011-08-04 — — US disclosed
US-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES THE JOHNS HOPKINS UNIVERSITY 2011-08-04 — — US disclosed
WO-2010019861-A1 COMPOUNDS, THEIR SYNTHESES, AND THEIR USES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2010-02-18 — — WO disclosed
US-4605674-A VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1986-08-12 — — US disclosed
US-4327088-A ANTIVIRAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-04-27 — — 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-20110190325-A1 COMPOUNDS, THEIR SYNTHESES, AND THIER USES TERT, TYMS, NISCH MAPT 2194/4885CYP3A4 79/4885CYP2D6 31/4885

“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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