SCHEMBL96961

SCHEMBL96961

O=[C]OCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NAAA Q02083 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
IDO1 P14902 1/20 0.47
FFAR1 O14842 1/20 0.46
MAOA P21397 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
MIF P14174 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
SCHEMBL11102439 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL97331 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL11108660 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL11103301 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL11103088 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL2516 0.98 IDO1 (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL5544774 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL95268 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL5537350 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL5545715 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
WO-2016194390-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF CANCER R-TECH UENO, LTD. (JP) 2016-12-08 WO disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
EP-0435333-A2 Cephalosporin derivatives, the process for preparing the same, and antimicrobial composition containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-03 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
US-4977179-A Inhibiting angiotensin converting enzyme OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-12-11 US disclosed
US-4950662-A ANTIBIOTIC OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-21 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4859759-A Siloxane containing benzotriazolyl/tetraalkylpiperidyl substituent KIMBERLY-CLARK CORPORATION (US) 1989-08-22 US disclosed
EP-0313081-A2 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-26 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MAPT 2196/4885RXFP1 2555/4885NAAA 1308/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAPT 2196/4885RXFP1 2555/4885NAAA 1308/4885

“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.