SCHEMBL245390

SCHEMBL245390

O=[C]NC1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 5/20 0.42
CA1 P00915 4/20 0.42
CA12 O43570 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CYP3A4 P08684 2/20 0.42
ADH4 P08319 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 1/20 0.42
CA2 P00918 3/20 0.39
ADH7 P40394 1/20 0.38

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
SCHEMBL26145 1.00
SCHEMBL2112447 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CA1CA12
SCHEMBL2109467 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CA1CA12
SCHEMBL1678761 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CA1CA12
SCHEMBL9206593 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CA1CA12
SCHEMBL26241 0.97
SCHEMBL115508 0.91
SCHEMBL24679 0.84
SCHEMBL5639673 0.76 TSHR (0.38) ALDH1A1EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL33021 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10EPHX1CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP claimed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US claimed
WO-2024043261-A1 AZO COMPOUND OR SALT THEREOF, AND POLARIZING FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME 日本化薬株式会社 2024-02-29 WO disclosed
CN-114026199-B Polarized light emitting film, polarized light emitting panel and display device containing water-soluble coumarin compound or salt thereof 日本化药株式会社 2023-12-26 CN disclosed
CN-109709770-B Resin composition, dry film and method for producing same, method for producing resist film and substrate, method for producing plated molded article, and mercapto compound 东京应化工业株式会社 2023-11-24 CN disclosed
US-11802208-B2 Stilbene-based compound or salt thereof, and polarizing film, polarizing plate, and display device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-10-31 US disclosed
US-20230019461-A1 POLARIZED LIGHT-EMITTING FILM CONTAINING WATER-SOLUBLE COUMARIN COMPOUND OR SALT THEREOF, POLARIZED LIGHT-EMITTING PLATE, AND DISPLAY DEVICE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-01-19 US disclosed
EP-3998502-A1 POLARIZED LIGHT-EMITTING FILM CONTAINING WATER-SOLUBLE COUMARIN COMPOUND OR SALT THEREOF, POLARIZED LIGHT-EMITTING PLATE, AND DISPLAY DEVICE Nippon Kayaku Kabushiki Kaisha (JP) 2022-05-18 EP disclosed
US-11061326-B2 Chemical amplification type positive photosensitive resin composition, a photosensitive dry film, a method for producing a photosensitive dry film, a method for producing a patterned resist film, a method of manufacturing a template with a substrate, and a method of manufacturing a plated shaped product, and a Mercapto compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-07-13 US disclosed
US-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-06-01 US disclosed
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
EP-0354787-A1 Oxaspiro[2,5]octane derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-14 EP disclosed
EP-0263229-A1 Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-04-13 EP disclosed
US-4585774-A Aniline derivatives and cardiotonic composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
EP-0064878-B1 NOVEL ANILINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CARDIOTONIC COMPOSITIONS CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-07-24 EP disclosed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed
EP-0064878-A1 Novel aniline derivatives, process for preparing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-11-17 EP disclosed
EP-0015523-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS Dr. Karl Thomae GmbH (DE) 1982-10-13 EP disclosed
US-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 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 (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-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound CUTA, POLR1C, ASIC1 ALDH1A1 639/4885HSD17B10 4220/4885EPHX1 2343/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 ALDH1A1 254/4885HSD17B10 44/4885EPHX1 144/4885

“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.