SCHEMBL3544897

SCHEMBL3544897

COc1cc(C=O)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.42
CYP1B1 Q16678 5/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CYP1A2 P05177 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NQO2 P16083 3/20 0.37
ESR1 P03372 2/20 0.37
ABL1 P00519 1/20 0.37
TTR P02766 1/20 0.37
ABCB1 P08183 1/20 0.37
ALOX5 P09917 1/20 0.37
BCR P11274 1/20 0.37
CYP19A1 P11511 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL717551 0.93 CA12 (0.41) CYP1A1CYP1B1ALDH1A1CYP2A6CA12
SCHEMBL2912460 0.86 ALDH1A1 (0.50) CYP1A1CYP1B1ALDH1A1CYP2A6CA12
SCHEMBL3542553 0.85 CA12 (0.39) CYP1A1CYP1B1ALDH1A1CA12CA1
SCHEMBL1616252 0.83 CA12 (0.38) CYP2A6CA12CA1CA9PREP
SCHEMBL1417191 0.83 CA12 (0.38) ALDH1A1CA12CA1CA9PREP
SCHEMBL29520875 0.83 CA12 (0.38) ALDH1A1CA12CA1CA9PREP
SCHEMBL1952968 0.82 CA12 (0.37) CA12CA1CA9PREPHSP90AA1
SCHEMBL228003 0.80 CYP1A1 (0.64) CYP1A1CYP1B1ALDH1A1CYP2A6CYP1A2
SCHEMBL3544226 0.80 CYP1A1 (0.67) CYP1A1CYP1B1CYP1A2MEN1KMT2A
SCHEMBL3544223 0.80 CYP1A1 (0.67) CYP1A1CYP1B1CYP1A2MEN1KMT2A

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 2430/4885ALDH1A1 3559/4885

“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.