SCHEMBL9839703

SCHEMBL9839703

CCCCCC(=O)C=CCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
POLB P06746 1/20 0.53
POLA1 P09884 1/20 0.53
PPARG P37231 6/20 0.52
PPARA Q07869 6/20 0.52
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
KDM4E B2RXH2 1/20 0.47
AKR1B1 P15121 1/20 0.46
HSP90AA1 P07900 1/20 0.45
APP P05067 1/20 0.45
PPARD Q03181 4/20 0.44
GPR84 Q9NQS5 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
TLR2 O60603 1/20 0.44

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
SCHEMBL8838844 1.00 TRPA1 (0.61) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11347070 0.98 TRPA1 (0.59) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL5701267 0.98 TRPA1 (0.59) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11529230 0.98 TRPA1 (0.59) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11529232 0.98 TRPA1 (0.59) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11525793 0.93
SCHEMBL11525791 0.93
SCHEMBL30705405 0.83 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL30705404 0.83 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11525463 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 WO disclosed
EP-0251115-B1 METHOD FOR THE PRODUCTION OF BETA-HALOVINYL- AND BETA,BETA-DIHALOETHYLARYLKETONES BASF Aktiengesellschaft (DE) 1991-08-21 EP disclosed
US-4737590-A PROSTAGLANDIN INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1988-04-12 US disclosed
EP-0251115-A2 Method for the production of beta-halovinyl- and beta,beta-dihaloethylarylketones BASF Aktiengesellschaft (DE) 1988-01-07 EP disclosed
US-4439365-A TRIPHENYLMETHOXY ALKENYLMAGNESIUM HALIDES AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed
US-4343949-A PROSTAGLANDIN REARRANGEMENTS AMERICAN CYANAMID COMPANY (US) 1982-08-10 US disclosed
US-4297516-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
US-4293704-A Novel 2-substituted-3,4-epoxycyclopentan-1-ones, 2-substituted-3,4-epoxycyclopentan-1-ols, and various 2-substituted-cyclopentenones AMERICAN CYANAMID COMPANY (US) 1981-10-06 US disclosed
US-4110368-A PROSTAGLANDINS, BRONCHODILATOR, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1978-08-29 US disclosed
US-4100343-A 11-Deoxyprostaglandin derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-07-11 US disclosed
US-4089898-A 11-Deoxyprostaglandin derivatives AYERST, MCKENNA & HARRISON LTD. (CA) 1978-05-16 US disclosed
US-4085272-A BRONCHODILATORS, INFLAMMATORY MEDEATOR RELEASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-04-18 US disclosed
US-4060540-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1977-11-29 US disclosed
US-4036856-A PROSTAGLANDINS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-07-19 US disclosed
US-4007210-A PROSTANOIC ACID DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1977-02-08 US disclosed
US-4006136-A Prostaglandin intermediates AYERST MCKENNA AND HARRISON LTD. (CA) 1977-02-01 US disclosed
US-3966773-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-06-29 US disclosed
US-3932479-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-01-13 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-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA TRPA1 3903/4885POLB 4083/4885POLA1 2946/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA TRPA1 3903/4885POLB 4083/4885POLA1 2946/4885

“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.