SCHEMBL780731

SCHEMBL780731

CCC(CC)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.42
STAT3 P40763 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA2 P00918 3/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 3/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
VDR P11473 1/20 0.39
DHODH Q02127 1/20 0.39
TLR9 Q9NR96 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL10486332 0.96 GAA (0.42) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL6068413 0.90 APP (0.43) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL6068409 0.90 APP (0.43) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL29132700 0.90 CA2 (0.45) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL13365292 0.88 CA2 (0.37) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL2476440 0.88 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL13389646 0.88 CA2 (0.37) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL4290352 0.86 CA12 (0.47) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL2151200 0.86 CA12 (0.49) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL29786761 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 US disclosed
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 US disclosed
US-10188615-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2019-01-29 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
EP-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 EP disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed
WO-2009029253-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 WO disclosed
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 US disclosed
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) HOFFMANN-LA ROCHE INC. 2008-06-26 US disclosed
WO-2008074677-A1 PROCESS FOR PREPARING 1- (2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
EP-1935867-A1 Process for preparing 1-(2-ethyl-butyl)-cyclohexanecarboxylic acid F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-5922239-A AN INEXPENSIVE BASE OIL USE AS A WORKING FLUID COMPOSITION FOR A REFRIGERATING MACHINE, HAVING EXCELLENT COMPATIBILITY WITH HYDROFLUOROCARBONS, HYDROLYSIS RESISTANCE, ADEQUATE KINEMATIC VISCOSITY, GOOD FLUIDITY AT LOW TEMPERATURES KAO CORPORATION (JP) 1999-07-13 US disclosed
US-5869702-A SPECIALTY OILS FOR REFRIGERATORS KAO CORPORATION (JP) 1999-02-09 US disclosed
US-5720895-A CONSISTS OF HYDROFLUOROCARBONS, A REFRIGERATION OIL CONTAINING POLYOL ETHER DERIVATIVES AS A BASE OIL KAO CORPORATION (JP) 1998-02-24 US disclosed
EP-0696564-A1 Polyol ether derivatives and production methods therefor KAO CORPORATION (JP) 1996-02-14 EP 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 (10 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885STAT3 4589/4885
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 GAA 860/4885ALDH1A1 1871/4885STAT3 4828/4885
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885STAT3 4589/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 30/4885ALDH1A1 133/4885STAT3 4525/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885STAT3 4589/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885STAT3 4589/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885STAT3 4589/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885STAT3 4589/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885STAT3 4589/4885
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 GAA 4432/4885ALDH1A1 628/4885STAT3 1131/4885

“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.