SCHEMBL3359255

SCHEMBL3359255

COc1cc(C=Cc2ccc(N)cc2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 1.00
NQO2 P16083 5/20 1.00
CYP1A1 P04798 5/20 0.74
CYP1B1 Q16678 5/20 0.74
ESR1 P03372 4/20 0.74
CYP1A2 P05177 3/20 0.74
ABL1 P00519 2/20 0.74
TTR P02766 2/20 0.74
ABCB1 P08183 2/20 0.74
ALOX5 P09917 2/20 0.74
BCR P11274 2/20 0.74
PTGS2 P35354 2/20 0.74
TUBB4A P04350 2/20 0.74
TUBB P07437 2/20 0.74
TUBA3C P0DPH7 2/20 0.74
AHR P35869 2/20 0.74
TUBA1B P68363 2/20 0.74
TUBA4A P68366 2/20 0.74
TUBB4B P68371 2/20 0.74
TUBB3 Q13509 2/20 0.74

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
SCHEMBL3359253 1.00 CYP19A1 (1.00) CYP19A1NQO2CYP1A1CYP1B1ESR1
SCHEMBL10277154 1.00 CYP19A1 (1.00) CYP19A1NQO2CYP1A1CYP1B1ESR1
SCHEMBL2588797 0.85 CYP19A1 (0.74) CYP19A1NQO2CYP1A1CYP1B1ESR1
8Z-3,4',5-Trimethoxystilbene SCHEMBL1006207 0.85 CYP1A1 (1.00) CYP19A1NQO2CYP1A1CYP1B1ESR1
Trismethoxyresveratrol SCHEMBL918740 0.85 CYP1A1 (1.00) CYP19A1NQO2CYP1A1CYP1B1ESR1
Trismethoxyresveratrol SCHEMBL918739 0.85 CYP1A1 (1.00) CYP19A1NQO2CYP1A1CYP1B1ESR1
SCHEMBL2588799 0.85 CYP19A1 (0.74) CYP19A1NQO2CYP1A1CYP1B1ESR1
SCHEMBL3395077 0.84 PTGS2 (0.86) CYP19A1NQO2CYP1A1CYP1B1ESR1
SCHEMBL3365675 0.83 CYP19A1 (1.00) CYP19A1NQO2CYP1A1CYP1B1CYP1A2
SCHEMBL3365670 0.83 CYP19A1 (1.00) CYP19A1NQO2CYP1A1CYP1B1CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426369-B2 Prevention and treatment of colon cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-04-23 US claimed
JP-7267905-A None JP disclosed
CN-119285447-A Preparation method of pterostilbene 中国药科大学 2025-01-10 CN disclosed
US-8426369-B2 Prevention and treatment of colon cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-04-23 US disclosed
US-20120178704-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-07-12 US disclosed
WO-2010046926-A2 NOVEL STILBENE ANALOGS APTUIT LAURUS PVT LTD (IN) 2010-04-29 WO disclosed
US-6066757-A MAY BE INCORPORATED INTO PHOTOCONDUCTING LAYER OF ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AS CHARGE TRANSPORTING MATERIAL RICOH COMPANY, LTD. (JP) 2000-05-23 US disclosed
US-5641598-A HAVING HIGH RESISTANCE TO THERMAL AND MECHANICAL SHOCK RICOH COMPANY, LTD. (JP) 1997-06-24 US disclosed
JP-H07267905-A NITRO COMPOUND AND AMINO COMPOUND AND THEIR PRODUCTION RICOH CO LTD 1995-10-17 JP 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-20120178704-A1 PREVENTION AND TREATMENT OF COLON CANCER APC, SI, NFKBIA CYP19A1 614/4885NQO2 1440/4885CYP1A1 1123/4885

“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.