SCHEMBL865066

SCHEMBL865066

O=CCCCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.57
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ALOX5 P09917 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL6579087 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577356 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL3959220 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577464 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577430 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577467 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL8357720 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL8357002 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL98284 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL96648 0.98 SIGMAR1 (0.54) SIGMAR1MAPTRXFP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-108401825-A A kind of galangal inoculation method rich in various trace elements 佛山市三水区嘉信农业技术研究院(普通合伙) 2018-08-17 CN disclosed
CN-108066683-A Application of the galangal in the drug or health products for preparing the gastric ulcer that prevention and treatment non-steroidal anti-inflammatory drugs triggers 海南医学院 2018-05-25 CN disclosed
CN-105054066-B A kind of galangal rhizome extract and its preparation method and application 中国热带农业科学院农产品加工研究所 2018-05-01 CN disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
CN-105969329-A Low-permeability reservoir artificial crack high-permeability-grading low-fingering residue-free acidizing fluid and preparation method thereof 宁夏朔光石油科技有限公司 2016-09-28 CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES BIOMET DEUTSCHLAND GMBH (DE) 2002-03-14 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
EP-0856007-A1 CYCLOPEPTIDE DERIVATIVES MERCK PATENT GmbH (DE) 1998-08-05 EP disclosed
WO-1997014716-A1 CYCLOPEPTIDE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-04-24 WO disclosed
EP-0338887-B1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMA (US) 1993-12-08 EP disclosed
US-4988680-A Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-29 US disclosed
EP-0338168-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed
EP-0338887-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed
CN-85108623-A Preparation has the novel method of the heterocycleamide of medical active 1986-07-30 CN 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 (3 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 SIGMAR1 4091/4885MAPT 2196/4885RXFP1 2555/4885
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES CORO1C, CYCS, CORO1A SIGMAR1 2226/4885MAPT 4254/4885RXFP1 175/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SIGMAR1 4091/4885MAPT 2196/4885RXFP1 2555/4885

“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.