SCHEMBL3392246

SCHEMBL3392246

COc1cc(C=Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 1.00
PTGS1 P23219 3/20 1.00
TLR9 Q9NR96 1/20 0.65
CYP19A1 P11511 4/20 0.65
NQO2 P16083 4/20 0.62
CYP1A1 P04798 3/20 0.62
CYP1B1 Q16678 3/20 0.62
ESR1 P03372 2/20 0.62
ABL1 P00519 2/20 0.62
TTR P02766 2/20 0.62
ABCB1 P08183 2/20 0.62
ALOX5 P09917 2/20 0.62
BCR P11274 2/20 0.62
CYP1A2 P05177 1/20 0.62
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
AHR P35869 1/20 0.62
TUBA1B P68363 1/20 0.62
TUBA4A P68366 1/20 0.62

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
SCHEMBL4735253 1.00 PTGS2 (1.00) PTGS2PTGS1TLR9CYP19A1NQO2
SCHEMBL4733440 1.00 PTGS2 (1.00) PTGS2PTGS1TLR9CYP19A1NQO2
SCHEMBL3395077 0.93 PTGS2 (0.86) PTGS2PTGS1TLR9CYP19A1NQO2
SCHEMBL12830656 0.91 PTGS2 (0.83) PTGS2PTGS1TLR9CYP19A1NQO2
SCHEMBL1005735 0.88 PTGS2 (0.78) PTGS2PTGS1TLR9CYP19A1NFE2L2
SCHEMBL1005734 0.88 PTGS2 (0.78) PTGS2PTGS1TLR9CYP19A1NFE2L2
SCHEMBL1405454 0.86 PTGS2 (0.75) PTGS2PTGS1TLR9CYP19A1NQO2
SCHEMBL1405456 0.86 PTGS2 (0.75) PTGS2PTGS1TLR9CYP19A1NQO2
SCHEMBL4255411 0.83 PTGS2 (0.71) PTGS2PTGS1TLR9CYP19A1NFE2L2
SCHEMBL4255409 0.83 PTGS2 (0.71) PTGS2PTGS1TLR9CYP19A1NFE2L2

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 22 patents — showing the first 20. 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
US-20120178704-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-07-12 US claimed
WO-2008070872-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-06-12 WO 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
CN-108514539-B Antiseptic composition for cosmetics based on mild effect and preparation method of cosmetics 广州市腾宇化妆品有限公司 2021-07-27 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
WO-2008070872-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-06-12 WO disclosed
JP-H07267905-A NITRO COMPOUND AND AMINO COMPOUND AND THEIR PRODUCTION RICOH CO LTD 1995-10-17 JP disclosed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP 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 PTGS2 28/4885PTGS1 13/4885TLR9 612/4885

“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.