SCHEMBL3750347

SCHEMBL3750347

COc1cc(C=Cc2ccc(OC)c(OC)c2)cc(C=Cc2ccc(OC)c(OC)c2)c1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.93
CYP1B1 Q16678 8/20 0.93
NQO2 P16083 4/20 0.93
TTR P02766 1/20 0.93
ABCG2 Q9UNQ0 1/20 0.93
MYC P01106 1/20 0.93
TUBB4A P04350 2/20 0.76
TUBB P07437 2/20 0.76
TUBA3C P0DPH7 2/20 0.76
TUBA1B P68363 2/20 0.76
TUBA4A P68366 2/20 0.76
TUBB4B P68371 2/20 0.76
TUBB3 Q13509 2/20 0.76
TUBB2A Q13885 2/20 0.76
TUBB8 Q3ZCM7 2/20 0.76
TUBA3E Q6PEY2 2/20 0.76
TUBA1A Q71U36 2/20 0.76
TUBA1C Q9BQE3 2/20 0.76
TUBB6 Q9BUF5 2/20 0.76
TUBB2B Q9BVA1 2/20 0.76

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
SCHEMBL15785978 1.00 CYP1A1 (0.93) CYP1A1CYP1B1NQO2TTRABCG2
(E)-3,4,3',5'-Tetramethoxystilbene SCHEMBL1394570 0.96 CYP1A1 (1.00) CYP1A1CYP1B1NQO2TTRABCG2
(E)-3,4,3',5'-Tetramethoxystilbene SCHEMBL1394568 0.96 CYP1A1 (1.00) CYP1A1CYP1B1NQO2TTRABCG2
SCHEMBL13409623 0.92 CYP1A1 (0.78) CYP1A1CYP1B1NQO2TTRABCG2
SCHEMBL9586847 0.88 CYP1A1 (0.80) CYP1A1CYP1B1NQO2TTRABCG2
SCHEMBL9431599 0.88 CYP1A1 (0.80) CYP1A1CYP1B1NQO2TTRABCG2
7Z-3,4,4'-Trimethoxystilbene SCHEMBL9188558 0.86 TUBB4A (1.00) CYP1A1CYP1B1NQO2TTRABCG2
7Z-3,4,4'-Trimethoxystilbene SCHEMBL2948082 0.86 TUBB4A (1.00) CYP1A1CYP1B1NQO2TTRABCG2
7Z-3,4,4'-Trimethoxystilbene SCHEMBL2948087 0.86 TUBB4A (1.00) CYP1A1CYP1B1NQO2TTRABCG2
SCHEMBL9173377 0.86 CYP1A1 (0.84) CYP1A1CYP1B1NQO2TTRABCG2

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-20100292512-A1 Methylated Curcumin-Resveratrol Hybrid Molecules for Treating Cancer DEPUY SPINE, LLC 2010-11-18 US claimed

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-20100292512-A1 Methylated Curcumin-Resveratrol Hybrid Molecules for Treating Cancer DNMT1, MECP2, BMI1 CYP1A1 1164/4885CYP1B1 1454/4885NQO2 2158/4885

“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.