SCHEMBL13169366

SCHEMBL13169366

COc1ccc([C@@H]2C(=O)c3c(OC)cc(C)cc3C(=O)c3c(OC)cc(OC)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 1/20 0.42
PTGS2 P35354 1/20 0.42
ELANE P08246 5/20 0.41
MAP2K3 P46734 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.39
ACLY P53396 1/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL13189398 0.93 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP1A2RAB9AMAPT
SCHEMBL6356064 0.78 RAB9A (0.59) ALDH1A1CYP3A4CYP1A2RAB9AMAPT
SCHEMBL13927435 0.73 MAP2K3 (0.52) ALDH1A1CYP3A4CYP1A2RAB9AMAPT
SCHEMBL9878243 0.72 ALDH1A1 (0.83) ALDH1A1CYP3A4CYP1A2MAPTHPGD
SCHEMBL13189397 0.70 MAP2K3 (0.49) ALDH1A1CYP3A4CYP1A2RAB9AMAPT
SCHEMBL13926376 0.70 MAP2K3 (0.49) ALDH1A1CYP3A4CYP1A2RAB9AMAPT
SCHEMBL17263631 0.70 MAP2K3 (0.49) ALDH1A1CYP3A4CYP1A2RAB9AMAPT
SCHEMBL13169787 0.69 MAP2K3 (0.48) ALDH1A1CYP3A4CYP1A2RAB9ANPC1
SCHEMBL13926842 0.69 MAP2K3 (0.48) ALDH1A1CYP3A4CYP1A2MAPTHPGD
SCHEMBL13169762 0.69 MAP2K3 (0.48) ALDH1A1CYP3A4CYP1A2MAPTHPGD

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-9185909-B2 Synthesis of resveratrol-based natural products THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-17 US disclosed
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 ALDH1A1 4101/4885CYP3A4 1164/4885CYP1A2 2259/4885

“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.