SCHEMBL6036997

SCHEMBL6036997

Oc1cc(O)cc(/C=C/C2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.50
PTGS1 P23219 5/20 0.42
TTR P02766 5/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
MAPT P10636 3/20 0.42
CYP2C9 P11712 3/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX5 P09917 3/20 0.42
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42

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
SCHEMBL6036998 1.00 LCK (0.50) LCKPTGS1TTRKDM4ELMNA
SCHEMBL16406665 0.88 LCK (0.38) LCKPTGS1TTRKDM4ELMNA
SCHEMBL10281914 0.88 ALDH1A1 (0.39) LCKPTGS1TTRKDM4ELMNA
SCHEMBL16130482 0.85 LCK (0.35) LCKPTGS1TTRKDM4ELMNA
SCHEMBL18648430 0.84 MIF (0.35) LCKPTGS1TTRKDM4ELMNA
SCHEMBL18648535 0.81 PTGS2 (0.48) PTGS1KDM4ELMNAMEN1ALDH1A1
SCHEMBL164340 0.71 MAOA (0.51) MAOBKDM1AMAOA
SCHEMBL933856 0.71 MAOA (0.51) MAOBKDM1AMAOA
SCHEMBL27448872 0.71 LCK (0.57) LCKPTGS1MAOBPTGS2ABL1
SCHEMBL720795 0.69 LCK (1.00) LCKPTGS1TTRKDM4ELMNA

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 12 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
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
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 (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-20150133396-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS FABP4, GPR119, SIRT1 LCK 2810/4885PTGS1 2067/4885TTR 3968/4885
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 LCK 4126/4885PTGS1 4289/4885TTR 4817/4885
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins SIRT1, SIRT7, SIRT5 LCK 4126/4885PTGS1 4289/4885TTR 4817/4885
US-20120029065-A1 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS FABP4, GPR119, SIRT1 LCK 2810/4885PTGS1 2067/4885TTR 3968/4885

“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.