SCHEMBL2282019

SCHEMBL2282019

COc1cc(OC)c(C(=O)C=Cc2ccc3c(c2)OCO3)c(OC)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.67
▸ CYP2D6 P10635 5/20 0.67
▸ CYP3A4 P08684 4/20 0.67
▸ CYP2C9 P11712 4/20 0.67
▸ CYP2C19 P33261 4/20 0.67
▸ ABCG2 Q9UNQ0 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ APP P05067 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ TNFRSF1A P19438 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50

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
SCHEMBL3173761 0.81 TNFRSF1A (0.72) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL3173746 0.81 TNFRSF1A (0.72) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL30383546 0.81 MAPT (0.85) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2279010 0.81 MAPT (0.85) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2279017 0.81 MAPT (0.85) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL25199853 0.80 MAPT (1.00) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2286430 0.80 MAPT (1.00) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL30383814 0.80 MAPT (1.00) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL2286422 0.80 MAPT (1.00) MAPTCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL18597279 0.80 NFKB1 (0.62) MAPTCYP2D6CYP3A4CYP2C9CYP2C19

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-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

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 2194/4885CYP2D6 31/4885CYP3A4 79/4885

“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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