SCHEMBL645299

SCHEMBL645299

O=CNC1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 1.00
ADH1A P07327 5/20 1.00
ADH1C P00326 4/20 1.00
ADH4 P08319 2/20 1.00
ADH7 P40394 3/20 0.94
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.43
EPHX1 P07099 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL2112448 1.00 ADH1B (1.00) ADH1BADH1AADH1CADH4ADH7
SCHEMBL9206597 1.00 ADH1B (1.00) ADH1BADH1AADH1CADH4ADH7
SCHEMBL2109469 1.00 ADH1B (1.00) ADH1BADH1AADH1CADH4ADH7
SCHEMBL245391 1.00 ADH1B (1.00) ADH1BADH1AADH1CADH4ADH7
Cyclohexylformamide SCHEMBL28496813 1.00 ADH1B (1.00) ADH1BADH1AADH1CADH4ADH7
SCHEMBL22988657 1.00 ADH1B (1.00) ADH1BADH1AADH1CADH4ADH7
Cyclohexylformamide SCHEMBL26146 1.00
Cyclohexylformamide SCHEMBL817895 0.97 ADH1B (0.94) ADH1BADH1AADH1CADH4ADH7
Cyclohexylformamide SCHEMBL816897 0.97 ADH1B (0.94) ADH1BADH1AADH1CADH4ADH7
Cyclohexylformamide SCHEMBL815680 0.97 ADH1B (0.94) ADH1BADH1AADH1CADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US claimed
US-4281121-A 1,3,4-Thiadiazole-2-carboxylic acid derivatives, process for making the same and fungicidal and nematocidal compositions containing same SCHERING AKTIENGESELLSCHAFT (DE) 1981-07-28 US claimed
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
EP-3919474-B1 HBV INHIBITOR AND USE THEREOF XIAN XINTONG PHARMACEUTICAL RES CO LTD (CN) 2023-10-11 EP disclosed
EP-3884948-A1 CATHEPSIN INHIBITORS AND USES THEREOF Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2021-09-29 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-3409670-B1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-09-09 EP disclosed
US-20200209739-A1 CHEMICALLY AMPLIFIED PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PATTERNED RESIST FILM, METHOD OF MANUFACTURING SUBSTRATE WITH TEMPLATE, METHOD OF MANUFACTURING PLATED ARTICLE, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2020-07-02 US disclosed
US-20200129458-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS AJINOMOTO CO., INC. (JP) 2020-04-30 US disclosed
EP-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP disclosed
EP-0482208-A1 PYRIDAZINONE DERIVATIVE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-04-29 EP disclosed
US-5001261-A Cyclohexenone derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1991-03-19 US disclosed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US disclosed
US-4906662-A Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-03-06 US 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-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
US-3974163-A VULCANIZATION INHIBITOR MONSANTO COMPANY (US) 1976-08-10 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 (4 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-20200129458-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS GLP1R, GPR119, GIPR ADH1B 2438/4885ADH1A 1538/4885ADH1C 987/4885
US-20200209739-A1 CHEMICALLY AMPLIFIED PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PATTERNED RESIST FILM, METHOD OF MANUFACTURING SUBSTRATE WITH TEMPLATE, METHOD OF MANUFACTURING PLATED ARTICLE, AND COMPOUND CUTA, RAD51, PCNA ADH1B 2564/4885ADH1A 949/4885ADH1C 3218/4885
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 ADH1B 2352/4885ADH1A 1502/4885ADH1C 3321/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 ADH1B 178/4885ADH1A 133/4885ADH1C 119/4885

“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.