SCHEMBL4982103

SCHEMBL4982103

CC(=O)Oc1ccccc1/C=C/c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.61
TRPA1 O75762 2/20 0.61
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
HSP90AA1 P07900 1/20 0.56
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HMGB1 P09429 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
GGT1 P19440 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL4982109 1.00 NFE2L2 (0.61) NFE2L2TRPA1KMT2AMEN1NPC1
SCHEMBL1603612 0.91 MEN1 (0.60) NFE2L2TRPA1KMT2AMEN1NPC1
SCHEMBL16915428 0.87 KDM4E (0.51) NFE2L2TRPA1KMT2AMEN1NPC1
SCHEMBL16915429 0.87 KDM4E (0.51) NFE2L2TRPA1KMT2AMEN1NPC1
SCHEMBL1603616 0.87 NFE2L2 (0.60) NFE2L2TRPA1KMT2AMEN1NPC1
SCHEMBL11505719 0.86 NFE2L2 (0.72) NFE2L2TRPA1KMT2AMEN1NPC1
SCHEMBL9244563 0.86 NFE2L2 (0.59) NFE2L2TRPA1KMT2ANPC1RAB9A
SCHEMBL29733304 0.85 NFE2L2 (0.56) NFE2L2TRPA1KMT2AMEN1NPC1
SCHEMBL16915445 0.84 CYP11B1 (0.50) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL16915447 0.84 CYP11B1 (0.50) KMT2AMEN1NPC1RAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US claimed
CN-104994831-A Use of a resveratrol derivative for skin whitening KYUNGPOOK NAT UNIV IND ACAD 2015-10-21 CN disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
EP-1984317-A1 NOVEL NUTRACEUTICAL AND PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR THE TREATMENT, CO-TREATMENT OR PREVENTION OF INFLAMMATORY DISORDERS DSMIP Assets B.V. (NL) 2008-10-29 EP disclosed
WO-2007093387-A1 NOVEL NUTRACEUTICAL AND PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR THE TREATMENT, CO-TREATMENT OR PREVENTION OF INFLAMMATORY DISORDERS DSM IP ASSETS B.V. (NL) 2007-08-23 WO 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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 NFE2L2 2187/4885TRPA1 4798/4885KMT2A 635/4885

“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.