SCHEMBL2516

SCHEMBL2516

O=[C]OCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
FFAR1 O14842 1/20 0.47
MAOA P21397 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAOB P27338 2/20 0.45
NAAA Q02083 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 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
SCHEMBL11103301 0.98 MAPT (0.48) IDO1FFAR1MAOALMNAMAPT
SCHEMBL96961 0.98 MAPT (0.48) IDO1FFAR1MAOALMNAMAPT
SCHEMBL97331 0.98 MAPT (0.48) IDO1FFAR1MAOALMNAMAPT
SCHEMBL11108660 0.98 MAPT (0.48) IDO1FFAR1MAOALMNAMAPT
SCHEMBL11103088 0.98 MAPT (0.48) IDO1FFAR1MAOALMNAMAPT
SCHEMBL11102439 0.98 MAPT (0.48) IDO1FFAR1MAOALMNAMAPT
SCHEMBL97489 0.94 TDP1 (0.46) IDO1FFAR1MAOALMNAMAPT
SCHEMBL96171 0.94 IDO1 (0.55) IDO1FFAR1MAOALMNAMAPT
SCHEMBL5544774 0.93 TDP1 (0.49) IDO1FFAR1MAPTRXFP1NAAA
SCHEMBL96790 0.93 TDP1 (0.49) IDO1FFAR1MAPTRXFP1NAAA

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 267 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
CN-114466893-B Polyester film for window covering, and polyester film laminate for window covering 三菱化学株式会社 2024-03-01 CN disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 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-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-9458092-B2 α-Substituted glycinamide derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
EP-0303269-A2 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-02-15 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-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 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
EP-0021883-A2 N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds MERRELL TORAUDE ET COMPAGNIE (FR) 1981-01-07 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 IDO1 2430/4885FFAR1 1292/4885MAOA 4309/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 IDO1 2430/4885FFAR1 1292/4885MAOA 4309/4885

“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.