SCHEMBL5701267

SCHEMBL5701267

CCCCCCCC(=O)C=CCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
POLB P06746 1/20 0.56
POLA1 P09884 1/20 0.56
PPARG P37231 8/20 0.55
PPARA Q07869 8/20 0.55
TSHR P16473 5/20 0.52
ALDH1A1 P00352 3/20 0.52
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.48
PPARD Q03181 6/20 0.48
GPR84 Q9NQS5 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL11529230 1.00 TRPA1 (0.59) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11529232 1.00 TRPA1 (0.59) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11347070 1.00 TRPA1 (0.59) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL9839703 0.98 TRPA1 (0.61) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL8838844 0.98 TRPA1 (0.61) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL11525791 0.91
SCHEMBL11525793 0.91
SCHEMBL10808210 0.86 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL30705405 0.86 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL30705404 0.86 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA

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-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-11 US disclosed
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-01-14 US disclosed
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-04-28 US disclosed
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-01-30 US disclosed
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-07-09 US disclosed
WO-2016176560-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-03 WO disclosed
EP-1082338-B1 17 BETA-NITRO-11 BETA-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RES TRIANGLE INST (US) 2006-07-26 EP disclosed
EP-1082338-A4 17 BETA-NITRO-11 BETA-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RES TRIANGLE INST (US) 2004-12-29 EP disclosed
EP-1082338-A1 17 BETA-NITRO-11 BETA-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 2001-03-14 EP disclosed
US-6093707-A A HORMONE INHIBITOR EXHIBITING POTENT ANTIPROGESTATIONAL ACTIVITY RESEARCH TRIANGLE INSTITUTE (US) 2000-07-25 US disclosed
US-4164446-A MICROORGANISMS OR ENZYMES, HYDROXYLATION GIST BROCADES N.V. (NL) 1979-08-14 US disclosed
US-4161608-A 11 Hydroxy methyl 11-deoxyprostaglandin E1 AYERST, MCKENNA AND HARRISON LIMITED (CA) 1979-07-17 US disclosed
EP-0002590-A1 Novel prostaglandin compounds, processes for the preparation thereof and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-06-27 EP disclosed
US-4154959-A 11-(2-Hydroxyethylthio)prostenoic acid E series derivatives AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed
US-4154954-A BRONCHODILATOR AGENTS; ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1979-05-15 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-4036856-A PROSTAGLANDINS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-07-19 US disclosed
US-4006136-A Prostaglandin intermediates AYERST MCKENNA AND HARRISON LTD. (CA) 1977-02-01 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 (5 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-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 TRPA1 2447/4885POLB 2106/4885POLA1 1163/4885
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 TRPA1 3341/4885POLB 1911/4885POLA1 1022/4885
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 TRPA1 2447/4885POLB 2106/4885POLA1 1163/4885
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 TRPA1 3341/4885POLB 1911/4885POLA1 1022/4885
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 TRPA1 2447/4885POLB 2106/4885POLA1 1163/4885

“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.