SCHEMBL12535853

SCHEMBL12535853

COc1cc(C)cc(/C=C/c2ccc(O)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.80
ALOX5 P09917 6/20 0.80
CYP1A1 P04798 5/20 0.80
CYP1B1 Q16678 5/20 0.80
KDM4E B2RXH2 5/20 0.80
NQO2 P16083 5/20 0.80
TTR P02766 4/20 0.80
PTGS1 P23219 4/20 0.80
ABL1 P00519 4/20 0.80
BCR P11274 4/20 0.80
MEN1 O00255 4/20 0.80
MAPT P10636 4/20 0.80
KMT2A Q03164 4/20 0.80
ABCB1 P08183 3/20 0.80
NPC1 O15118 2/20 0.80
GAA P10253 2/20 0.80
RAB9A P51151 2/20 0.80
GFER P55789 2/20 0.80
HDAC6 Q9UBN7 2/20 0.80
MAPK1 P28482 1/20 0.80

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
Pterostilbene SCHEMBL28222684 0.89 CYP1A1 (1.00) PTGS2ALOX5CYP1A1CYP1B1KDM4E
Pterostilbene SCHEMBL3545782 0.89 CYP1A1 (1.00) PTGS2ALOX5CYP1A1CYP1B1KDM4E
Pterostilbene SCHEMBL563218 0.89 CYP1A1 (1.00) PTGS2ALOX5CYP1A1CYP1B1KDM4E
Pterostilbene SCHEMBL20063 0.89 CYP1A1 (1.00) PTGS2ALOX5CYP1A1CYP1B1KDM4E
SCHEMBL562336 0.87 CYP1A1 (1.00) PTGS2ALOX5CYP1A1CYP1B1KDM4E
SCHEMBL10312395 0.87 RELA (0.68) PTGS2ALOX5CYP1A1CYP1B1KDM4E
SCHEMBL12535856 0.87 PTGS2 (0.78) PTGS2ALOX5CYP1A1CYP1B1KDM4E
SCHEMBL562335 0.87 CYP1A1 (1.00) PTGS2ALOX5CYP1A1CYP1B1KDM4E
SCHEMBL30475363 0.87 CYP1A1 (1.00) PTGS2ALOX5CYP1A1CYP1B1KDM4E
SCHEMBL12307322 0.84 PTGS2 (0.79) PTGS2ALOX5CYP1A1CYP1B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
EP-2531196-B1 PTEROSTILBENE COCRYSTALS LAURUS LABS LTD (IN) 2018-04-18 EP disclosed
US-9266813-B2 Stilbenoid compound as inhibitor for squamous carcinoma and hepatoma and uses thereof CHINA MEDICAL UNIVERSITY (TW) 2016-02-23 US disclosed
US-9187591-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-11-17 US disclosed
US-9127115-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-09-08 US disclosed
US-9051414-B1 Polyphenols and high-performance resins from syringaldehyde The United States of America as Represented by the Secretary of he Navy (US) 2015-06-09 US disclosed
US-9018314-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-04-28 US disclosed
US-8993688-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 US disclosed
US-8993689-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 US disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
WO-2015023811-A2 COMPOSITIONS AND METHODS FOR IDENTIFYING LATENTLY INFECTED CELLS THE J. DAVID GLADSTONE INSTITUTES (US) 2015-02-19 WO disclosed
US-8921614-B1 Selective deoxygenation of hydroxybenzaldehydes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-12-30 US disclosed
US-20140303241-A1 STILBENOID COMPOUND AS INHIBITOR FOR SQUAMOUS CARCINOMA AND HEPATOMA AND USES THEREOF ANNCARE BIO-TECH CENTER INC. (TW) 2014-10-09 US disclosed
US-8716355-B2 Hydroxylated tolans and related compounds in the treatment of a cancer KENT STATE UNIVERSITY (US) 2014-05-06 US disclosed
US-20110130468-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER KENT STATE UNIVERSITY (US) 2011-06-02 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 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-20140303241-A1 STILBENOID COMPOUND AS INHIBITOR FOR SQUAMOUS CARCINOMA AND HEPATOMA AND USES THEREOF HDGF, HCCS, HAVCR2 PTGS2 1437/4885ALOX5 2350/4885CYP1A1 3011/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 PTGS2 62/4885ALOX5 247/4885CYP1A1 874/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL PTGS2 2946/4885ALOX5 977/4885CYP1A1 3467/4885
US-20110130468-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS IN THE TREATMENT OF A CANCER TKT, HAAO, TTPA PTGS2 2030/4885ALOX5 734/4885CYP1A1 387/4885

“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.