SCHEMBL480813

SCHEMBL480813

CC(C)C(C)(C)C(O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 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
SCHEMBL5958159 0.77 ALDH1A1 (0.44) ALDH1A1CYP2C19
SCHEMBL11767025 0.77 ALDH1A1 (0.53) ALDH1A1CYP2C19
SCHEMBL20618378 0.74 ALDH1A1 (0.50) ALDH1A1CYP2C19
SCHEMBL11480141 0.72 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL14569223 0.72 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL13212309 0.72 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL22975 0.70
SCHEMBL48154 0.70
SCHEMBL8403281 0.69 ALDH1A1 (0.44) ALDH1A1CYP2C19
SCHEMBL2575275 0.67 ALDH1A1 (0.50) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US claimed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP claimed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US claimed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US claimed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US claimed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP claimed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO claimed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP claimed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO claimed
CN-115894380-A N-aryl substituted imino ester compound and preparation method and application thereof 上海特化医药科技有限公司 2023-04-04 CN disclosed
US-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2018-08-09 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-05-11 US disclosed
US-9550773-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-24 US disclosed
US-4576936-A ANTINFLAMMATORY STEROSYNT LTD. (GB) 1986-03-18 US disclosed
US-4358445-A ANTIINFLAMMATORY AGENT STEROSYNT LTD. (GB) 1982-11-09 US disclosed
US-4096257-A ANTIASTHMATIC; ENZYME INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-06-20 US disclosed
US-4021459-A Process for the preparation of 21-halogeno-21-desoxy-17α-acyloxy 20-keto-pregnenes SCHERING CORPORATION (US) 1977-05-03 US disclosed
US-3992422-A Process for the preparation of 21-halogeno-21-desoxy-17α-acyloxy-20-keto-pregnenes SCHERING CORPORATION (US) 1976-11-16 US disclosed
US-3980680-A Process for the preparation of 21-desoxy-17-acyloxy-4-pregnenes and of 21-iodo-21-desoxy-17-acyl oxy-4-pregnene intermediates useful therein SCHERING CORPORATION (US) 1976-09-14 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-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 ALDH1A1 2159/4885CYP2C19 3386/4885
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 ALDH1A1 2159/4885CYP2C19 3386/4885

“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.