Sugi Predict

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SCHEMBL3544226

SCHEMBL3544226

COc1ccc(C=Cc2cc(OC)cc(O[Si](C)(C)C(C)(C)C)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 7/20 0.67
▸ CYP1B1 Q16678 7/20 0.67
▸ ESR1 P03372 4/20 0.67
▸ NQO2 P16083 4/20 0.67
▸ PTGS2 P35354 4/20 0.67
▸ TTR P02766 3/20 0.67
▸ ALOX5 P09917 3/20 0.67
▸ CYP1A2 P05177 3/20 0.67
▸ AHR P35869 3/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ ABCB1 P08183 2/20 0.67
▸ BCR P11274 2/20 0.67
▸ CYP19A1 P11511 2/20 0.67
▸ TUBB4A P04350 2/20 0.67
▸ TUBB P07437 2/20 0.67
▸ TUBA3C P0DPH7 2/20 0.67
▸ TUBA1B P68363 2/20 0.67
▸ TUBA4A P68366 2/20 0.67
▸ TUBB4B P68371 2/20 0.67
▸ TUBB3 Q13509 2/20 0.67

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
SCHEMBL3544223 1.00 CYP1A1 (0.67) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL3542597 0.98 CYP1A1 (0.64) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL3542593 0.98 CYP1A1 (0.64) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL10276760 0.98 CYP1A1 (0.64) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL1975475 0.95 CYP1A1 (0.64) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL1975478 0.95 CYP1A1 (0.64) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL3551213 0.95 CYP1A1 (0.64) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL21356550 0.91 ESR1 (0.50) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL7193989 0.85 CYP1A1 (0.46) CYP1A1CYP1B1ESR1NQO2PTGS2
SCHEMBL21356574 0.83 PTGS2 (0.53) CYP1A1CYP1B1ESR1NQO2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705188-B2 Structural modification of resveratrol: sodium resverastatin phosphate Arizona Board of Regents, a body corporate of the State of Arizona, Acting for and on Behalf of the Arizona State University (US) 2010-04-27 — — US claimed
US-7705188-B2 Structural modification of resveratrol: sodium resverastatin phosphate Arizona Board of Regents, a body corporate of the State of Arizona, Acting for and on Behalf of the Arizona State University (US) 2010-04-27 — — US disclosed
US-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate NATIONAL INSTITUTES OF HEALTH 2005-10-27 — — US disclosed
WO-2003086414-A1 STRUCTURAL MODIFICATION OF RESVERATROL: SODIUM RESVERASTATIN PHOSPHATE ARIZONA BOARD OF REGENTS (US) 2003-10-23 — — WO 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-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate PI4KB, HDAC4, PIK3CA CYP1A1 3525/4885CYP1B1 2430/4885ESR1 1221/4885

“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.