SCHEMBL47305

SCHEMBL47305

O=C1OCC2CCCCC12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL16116751 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL13253702 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715180 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL8444553 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL728783 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL13618315 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL6383420 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715354 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL21500482 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715355 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2

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 1834 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878493-A Method for preparing hexahydrophthalide by selectively hydrogenating phthalic anhydride 大连理工大学 2024-11-01 CN claimed
CN-118344317-A Method for preparing hexahydrophthalide by tetrahydrophthalic anhydride 山东晨阳新型碳材料研究院有限公司 2024-07-16 CN claimed
CN-116041294-B Method for preparing hexahydrophthalide by phthalic anhydride or phthalic acid 中国科学院兰州化学物理研究所 2024-07-09 CN claimed
CN-115504951-B Method for preparing hexahydrophthalide by hydrogenating hexahydrophthalic anhydride 大连理工大学 2024-02-13 CN claimed
EP-3035928-B1 3'-PYRIDYL SUBSTITUTED- 6,6-DIFLUORO BICYCLIC HIMBACINE DERIVATIVES MERCK SHARP & DOHME LLC (US) 2023-10-18 EP claimed
CN-114950472-B Preparation method of hexahydrophthalide catalyst by phthalide hydrogenation and method for preparing hexahydrophthalide by phthalide hydrogenation 大连理工大学 2023-08-11 CN claimed
CN-116041294-A Method for preparing hexahydrophthalide by phthalic anhydride or phthalic acid 中国科学院兰州化学物理研究所 2023-05-02 CN claimed
CN-115504951-A Method for preparing hexahydrophthalide by hydrogenation of hexahydrophthalic anhydride 大连理工大学 2022-12-23 CN claimed
CN-114950472-A Preparation method of catalyst for preparing hexahydrophthalide by phthalide hydrogenation and method for preparing hexahydrophthalide by phthalide hydrogenation 大连理工大学 2022-08-30 CN claimed
JP-57091984-A None JP disclosed
JP-11180968-A None JP disclosed
EP-3881048-B1 DEVICE FOR REMOVING VOLATILE ORGANIC COMPOUNDS LETAT FRANCAIS REPRESENTE PAR LE MINI DE LINTERIEUR (FR) 2026-05-06 EP disclosed
US-12428364-B2 Method for processing benzene polycarboxylic acid esters and use of same to produce cyclohexane polycarboxylic acid esters BASF SE (DE) 2025-09-30 US disclosed
EP-4074807-B1 COMPOSITIONS COMPRISING A FLUOROOLEFIN CHEMOURS CO FC LLC (US) 2025-07-09 EP disclosed
WO-1985000514-A1 IMPROVING THE ADHESION OF COMPOSITES TO DENTIN, ENAMEL AND OTHER SUBSTRATES AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1985-02-14 WO disclosed
US-4491667-A CURING AGENTS FOR THERMOSETTING RESINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1985-01-01 US disclosed
JP-S5791984-A PREPARATION OF LACTONE NEW JAPAN CHEM CO LTD 1982-06-08 JP disclosed
US-4244877-A BY CATALYZED HYDROGENATION OF TETRAHYDROPHTHALIC ANHYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed
EP-0005738-B1 METHOD FOR THE PREPARATION OF HEXAHYDROPHTHALIC ACID ANHYDRIDE BAYER AG (DE) 1980-11-26 EP disclosed
EP-0005738-A1 Method for the preparation of hexahydrophthalic acid anhydride BAYER AG (DE) 1979-12-12 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 (1 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-12428364-B2 Method for processing benzene polycarboxylic acid esters and use of same to produce cyclohexane polycarboxylic acid esters DDT, HPD, DDC ALDH1A1 2112/4885NOS3 4612/4885NOS1 4685/4885

“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.