SCHEMBL6036974

SCHEMBL6036974

Oc1cc(O)cc(/C=C/c2ccc3ccccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 1.00
RELA Q04206 2/20 0.64
NQO2 P16083 3/20 0.62
LCK P06239 3/20 0.59
KDM4E B2RXH2 4/20 0.57
LMNA P02545 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 3/20 0.57
TP53 P04637 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 3/20 0.57
HIF1A Q16665 3/20 0.57
HSD17B10 Q99714 3/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57

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
SCHEMBL6036975 1.00 PTGS1 (1.00) PTGS1RELANQO2LCKKDM4E
SCHEMBL13164677 0.88 PTGS1 (0.77) PTGS1RELANQO2LCKKDM4E
SCHEMBL12729788 0.86 NQO2 (0.81) PTGS1RELANQO2KDM4ELMNA
SCHEMBL9306699 0.86 PTGS1 (0.75) PTGS1RELANQO2LCKKDM4E
SCHEMBL5552162 0.85 RELA (0.86) PTGS1RELANQO2KDM4EALDH1A1
SCHEMBL5050698 0.85 RELA (0.86) PTGS1RELANQO2KDM4EALDH1A1
SCHEMBL5050695 0.85 RELA (0.86) PTGS1RELANQO2KDM4EALDH1A1
SCHEMBL5552166 0.85 RELA (0.86) PTGS1RELANQO2KDM4EALDH1A1
SCHEMBL29842519 0.85 RELA (0.86) PTGS1RELANQO2KDM4EALDH1A1
SCHEMBL5548830 0.81 RELA (0.78) PTGS1RELANQO2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 WO disclosed
EP-3031461-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS The President and Fellows of Harvard College (US) 2016-06-15 EP disclosed
US-20150133396-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-14 US disclosed
CN-103391777-A Sirtuin modulators as virus production modulators UNIV PRINCETON 2013-11-13 CN disclosed
US-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 US disclosed
US-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 US disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
US-20120029065-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-02-02 US disclosed
US-8017634-B2 Compositions for treating obesity and insulin resistance disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-09-13 US disclosed
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species MONTE AARON P 2011-04-21 US disclosed
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species MONTE AARON P 2011-04-21 US disclosed
EP-2289504-A2 SIRT1 modulators for manipulating cell/organism lifespan/stress response President and Fellows of Harvard College (US) 2011-03-02 EP disclosed
US-7544497-B2 Compositions for manipulating the lifespan and stress response of cells and organisms PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-06-09 US disclosed
US-20060084135-A1 Compositions for manipulating the lifespan and stress response of cells and organisms BIOMOL INTERNATIONAL, INC. 2006-04-20 US disclosed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 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 (5 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-20150133396-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS FABP4, GPR119, SIRT1 PTGS1 2067/4885RELA 88/4885NQO2 1759/4885
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 PTGS1 4289/4885RELA 303/4885NQO2 445/4885
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species ABCC1, H1-3, H1-2 PTGS1 681/4885RELA 1792/4885NQO2 91/4885
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins SIRT1, SIRT7, SIRT5 PTGS1 4289/4885RELA 303/4885NQO2 445/4885
US-20120029065-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS FABP4, GPR119, SIRT1 PTGS1 2067/4885RELA 88/4885NQO2 1759/4885

“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.