SCHEMBL608438

SCHEMBL608438

CCc1cc(CC)cc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
TRPA1 O75762 1/20 0.40
PTGS2 P35354 1/20 0.39
PRKCA P17252 2/20 0.37
PRKCD Q05655 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36
MAPT P10636 1/20 0.35
HSPA5 P11021 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL8231933 1.00 ACHE (0.48) ACHERXRARXRBTRPA1PTGS2
SCHEMBL12119353 0.89 ACHE (0.67) ACHERXRARXRBTRPA1PTGS2
SCHEMBL16952582 0.89 PGK1 (0.41) ACHERXRARXRBTRPA1PTGS2
SCHEMBL16960040 0.87 ACHE (0.39) ACHERXRARXRBTRPA1PTGS2
SCHEMBL16953198 0.87 ACHE (0.39) ACHERXRARXRBTRPA1PTGS2
SCHEMBL23429131 0.87 ACHE (0.39) ACHERXRARXRBTRPA1PTGS2
SCHEMBL16957078 0.87 CNR1 (0.39) ACHERXRARXRBTRPA1PTGS2
SCHEMBL12161237 0.87 ACHE (0.39) ACHERXRARXRBTRPA1PTGS2
SCHEMBL16961327 0.87 CYP4F2 (0.48) ACHERXRARXRBTRPA1PTGS2
SCHEMBL25112401 0.83 ACHE (0.36) ACHERXRARXRBTRPA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455519-B1 TREATING ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-09-24 US claimed
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses MITOPOWER LLC 2023-08-17 US disclosed
WO-2017046739-A1 IMIDAZOLIDINONE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
WO-2017046739-A1 IMIDAZOLIDINONE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8461153-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-11 US disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-6951940-B2 Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-10-04 US disclosed
US-20040072840-A1 Novel piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-04-15 US disclosed
US-6642233-B1 Strong affinity and high selectivity for the human NK1 receptors of substance P. SANOFI-SYNTHELABO (FR) 2003-11-04 US disclosed
US-6506750-B1 N-(phenylacetyl)morpholine derivatives useful as NK1 receptor antagonists, a process for the preparation thereof, and pharmaceutical compositions containing them as active principle. SANOFI-SYNTHELABO (FR) 2003-01-14 US disclosed
US-5149884-A Oxidative dehydrogenation of aromatic or aliphatic alcohols in gas phase BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
EP-0244632-A2 Tube bundle reactor, its use in exothermal organic reactions and process for the preparation of ketones and aldehydes BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 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-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses NADK, NNT, NAMPT ACHE 2883/4885RXRA 295/4885RXRB 275/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ACHE 3152/4885RXRA 8/4885RXRB 35/4885
US-20040072840-A1 Novel piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them TACR1, TACR2, KCNJ11 ACHE 3652/4885RXRA 1069/4885RXRB 1255/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ACHE 3152/4885RXRA 8/4885RXRB 35/4885

“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.