SCHEMBL13443549

SCHEMBL13443549

COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)cc(OC)c2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.91
CYP1B1 Q16678 5/20 0.91
ESR1 P03372 4/20 0.91
PTGS2 P35354 4/20 0.91
NQO2 P16083 4/20 0.91
AHR P35869 3/20 0.91
TTR P02766 3/20 0.91
ALOX5 P09917 3/20 0.91
ABL1 P00519 2/20 0.91
ABCB1 P08183 2/20 0.91
BCR P11274 2/20 0.91
CYP19A1 P11511 2/20 0.91
TUBB1 Q9H4B7 2/20 0.91
CYP1A2 P05177 1/20 0.91
TUBB4A P04350 1/20 0.91
TUBB P07437 1/20 0.91
TUBA3C P0DPH7 1/20 0.91
TUBA1B P68363 1/20 0.91
TUBA4A P68366 1/20 0.91
TUBB4B P68371 1/20 0.91

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
SCHEMBL3758141 1.00 CYP1A1 (0.91) CYP1A1CYP1B1ESR1PTGS2NQO2
Trismethoxyresveratrol SCHEMBL918739 0.95 CYP1A1 (1.00) CYP1A1CYP1B1ESR1PTGS2NQO2
8Z-3,4',5-Trimethoxystilbene SCHEMBL1006207 0.95 CYP1A1 (1.00) CYP1A1CYP1B1ESR1PTGS2NQO2
Trismethoxyresveratrol SCHEMBL918740 0.95 CYP1A1 (1.00) CYP1A1CYP1B1ESR1PTGS2NQO2
SCHEMBL9177232 0.95 TUBB1 (0.83) CYP1A1CYP1B1ESR1PTGS2NQO2
SCHEMBL13409620 0.92 RELA (0.81) CYP1A1CYP1B1ESR1PTGS2NQO2
SCHEMBL631998 0.88 RELA (0.81) CYP1A1CYP1B1ESR1PTGS2NQO2
SCHEMBL13790336 0.88 RELA (0.81) CYP1A1CYP1B1ESR1PTGS2NQO2
SCHEMBL4881152 0.88 RELA (0.81) CYP1A1CYP1B1ESR1PTGS2NQO2
SCHEMBL699457 0.88 RELA (0.81) CYP1A1CYP1B1ESR1PTGS2NQO2

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-20170224637-A1 INTRANSAL DELIVERY OF CURCUMIN DePuy Synthes Products, Inc. (US) 2017-08-10 US disclosed
US-20140163116-A1 METHOD OF TREATING CANCER USING A CURCUMIN DERIVATIVE DePuy Synthes Products, LLC (US) 2014-06-12 US disclosed
US-20130150628-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CURCUMIN DERIVATIVE DIMAURO THOMAS M (US) 2013-06-13 US disclosed
US-20100087527-A1 Curcumin Derivatives CODMAN & SHURTLEFF, INC. (US) 2010-04-08 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 (4 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-20130150628-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CURCUMIN DERIVATIVE CPT1A, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCB1 CYP1A1 219/4885CYP1B1 163/4885ESR1 4692/4885
US-20140163116-A1 METHOD OF TREATING CANCER USING A CURCUMIN DERIVATIVE HDAC5, HDAC6, CPT1A CYP1A1 516/4885CYP1B1 254/4885ESR1 4561/4885
US-20170224637-A1 INTRANSAL DELIVERY OF CURCUMIN FABP7, FABP2, NDUFB5 CYP1A1 2788/4885CYP1B1 2621/4885ESR1 3380/4885
US-20100087527-A1 Curcumin Derivatives CPT1A, S100A10, PKD1 CYP1A1 439/4885CYP1B1 306/4885ESR1 4675/4885

“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.