SCHEMBL221066

SCHEMBL221066

COc1[c]ccc(C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PRKCI P41743 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL9676481 0.86 CYP1A2 (0.47) ALDH1A1MAPTLMNARAB9AKMT2A
SCHEMBL2422430 0.85 TPMT (0.48) LMNARAB9ANPC1MAPK1
SCHEMBL358188 0.83 PARP1 (0.49) MAPK1
SCHEMBL3964444 0.83 CA1 (0.47) ALDH1A1MAPTPOLBGFERLMNA
SCHEMBL26688582 0.81 PLK1 (0.50) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL8132733 0.80 KDM4E (0.44) MAPTKMT2AGAA
SCHEMBL358925 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL3830003 0.80 KMT2A (0.44) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL4775443 0.78 HSD17B2 (0.53) ALDH1A1LMNARAB9AKMT2ANPC1
SCHEMBL8134192 0.78 HSD17B3 (0.43) ALDH1A1MAPTRAB9AKMT2AMEN1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
EP-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 EP claimed
US-5225559-A DIARYLMETHOXYPIPERIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1993-07-06 US claimed
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 US claimed
EP-0485984-A2 Diarylmethoxypiperidine derivatives UBE INDUSTRIES, LTD. (JP) 1992-05-20 EP claimed
CN-111285900-B Coupling molecule DCZ0847 compound based on pterostilbene and apocynin, preparation method and application thereof 上海市第十人民医院 2023-01-24 CN disclosed
CN-111285900-A Coupling molecule DCZ0847 compound based on pterostilbene and apocynin, preparation method and application thereof 上海市第十人民医院 2020-06-16 CN disclosed
CN-107365265-B apocynin water-soluble prodrug, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2019-12-17 CN disclosed
CN-107365265-A 4-hydroxy-3-methoxyacetophenone water-soluble prodrug, its preparation method, pharmaceutical composition and purposes 中国科学院上海药物研究所 2017-11-21 CN disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
EP-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 EP disclosed
US-5225559-A DIARYLMETHOXYPIPERIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1993-07-06 US disclosed
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 US disclosed
EP-0485984-A2 Diarylmethoxypiperidine derivatives UBE INDUSTRIES, LTD. (JP) 1992-05-20 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4332805-A FOR HUMAN AND VETERINARY MEDICINE SANOFI (FR) 1982-06-01 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 (2 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-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 ALDH1A1 1903/4885MAPT 2184/4885POLB 2118/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 ALDH1A1 1825/4885MAPT 625/4885POLB 1951/4885

“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.