SCHEMBL1305017

SCHEMBL1305017

C(=C/C1CCCCC1)\C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ADH1A P07327 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH4 P08319 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL11324624 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL6049736 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL8155752 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL9063495 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL1305019 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL11324623 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL15865753 0.96 ALDH1A1 (0.32) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL11316110 0.96 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11316105 0.96 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11328504 0.87 ADH1C (0.30) ADH1AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
US-9419307-B2 Organic electrolyte and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-08-16 US disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
US-20140370375-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-12-18 US disclosed
EP-2797154-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
US-20140302387-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-10-09 US disclosed
EP-2784868-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-01 EP disclosed
EP-2095875-B1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2014-10-01 EP disclosed
US-8771809-B2 Photoalignment material, display substrate having an alignment layer formed using the same, and method of manufacturing the display substrate SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 US disclosed
US-20050142300-A1 PYRANS AS LIQUID CRYSTALS RAMBUS, INC. (US) 2005-06-30 US disclosed
US-20050012073-A1 Pyrans as liquid crystals MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
EP-1482021-A1 Pyrans as liquid crystals MERCK PATENT GmbH (DE) 2004-12-01 EP disclosed
EP-1482022-A1 Pyrans as liquid crystals MERCK PATENT GmbH (DE) 2004-12-01 EP disclosed
US-6017469-A HAVING OUTSTANDING PROPERTIES WHEN THE NEMATIC LIQUID CRYSTAL MIXTURE CONTAINS AT LEAST ONE COMPOUND CONTAINING A 1,4-CYCLOHEXYLENE-CH=CH-GROUP; VERY SHORT RESPONSE TIMES; GOOD STEEPNESS AND ANGLE DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-01-25 US disclosed
US-5997766-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-12-07 US disclosed
US-5911912-A POLYMERS FOR LIQUID CRYSTAL POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1999-06-15 US disclosed
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-4010217-A NITROSYL MOLYBDENUM OR TUNGSTEN COORDINATION CATALYST, ORGANOALUMINUM ADJUVANT PHILLIPS PETROLEUM COMPANY (US) 1977-03-01 US disclosed
US-3963785-A Mercaptans by addition of hydrogen sulfide to olefins in presence of carbon disulfide PHILLIPS PETROLEUM COMPANY (US) 1976-06-15 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-20050142300-A1 PYRANS AS LIQUID CRYSTALS CYP4F3, SF3A3, NCAPD3 ALDH1A1 3845/4885HSD17B10 1434/4885ADH1A 2432/4885
US-20050012073-A1 Pyrans as liquid crystals NLRP3, PYCARD, NLRP1 ALDH1A1 2726/4885HSD17B10 1015/4885ADH1A 517/4885

“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.