SCHEMBL13189262

SCHEMBL13189262

CCOc1cc(CC)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ AHR P35869 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ PTGS2 P35354 2/20 0.43
▸ NQO1 P15559 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ABL1 P00519 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38

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
SCHEMBL321703 0.91 NQO1 (0.50) CALM1ESR1AHRPTGS2NQO1
SCHEMBL88823 0.89 ALDH1A1 (0.61) CALM1ALDH1A1PTGS2CYP19A1TSHR
SCHEMBL13485083 0.89 ALDH1A1 (0.61) CALM1ESR1AHRALDH1A1NQO1
SCHEMBL13074291 0.89 ALDH1A1 (0.61) CALM1ESR1AHRALDH1A1NQO1
SCHEMBL12903697 0.85 MAOB (0.47) CALM1ALDH1A1PTGS2ABCB1
SCHEMBL11258820 0.84 ALDH1A1 (0.53) CALM1ALDH1A1PTGS2CYP19A1TSHR
SCHEMBL8263328 0.83 CALM1 (0.47) CALM1ESR1AHRALDH1A1PTGS2
SCHEMBL8264227 0.83 CALM1 (0.47) CALM1ESR1AHRALDH1A1PTGS2
SCHEMBL13490528 0.83 CALM1 (0.51) CALM1ESR1AHRALDH1A1NQO1
SCHEMBL1911330 0.82 ALDH1A1 (0.42) CALM1AHRALDH1A1PTGS2CYP19A1

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-20100247462-A1 SYNTHESIS OF RESVERATROL-BASED NATURAL PRODUCTS NEW YORK, THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF 2010-09-30 — — 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-20100247462-A1 SYNTHESIS OF RESVERATROL-BASED NATURAL PRODUCTS COASY, FDPS, RRP1B CALM1 4087/4885ESR1 1577/4885AHR 1921/4885

“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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