SCHEMBL1478014

SCHEMBL1478014

C[CH]CCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.52
MAOA P21397 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 2/20 0.50

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
SCHEMBL9245700 0.98 SIGMAR1 (0.55) SIGMAR1MAOAL3MBTL1MEN1KMT2A
SCHEMBL9560040 0.98 SIGMAR1 (0.55) SIGMAR1MAOAL3MBTL1MEN1KMT2A
SCHEMBL6249417 0.98 SIGMAR1 (0.55) SIGMAR1MAOAL3MBTL1MEN1KMT2A
SCHEMBL430012 0.93 SIGMAR1 (0.54) SIGMAR1MAOAL3MBTL1MEN1KMT2A
SCHEMBL184329 0.83 GPR52 (0.48) SIGMAR1MEN1KMT2A
SCHEMBL27820823 0.83 MEN1 (0.51) SIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL5852908 0.83 TRPV1 (0.50) SIGMAR1MAOAL3MBTL1MEN1KMT2A
SCHEMBL5852915 0.83 TRPV1 (0.50) SIGMAR1MAOAL3MBTL1MEN1KMT2A
SCHEMBL27303810 0.81 GPR52 (0.47) SIGMAR1MEN1KMT2A
SCHEMBL5853432 0.81 TRPV1 (0.53) SIGMAR1MAOAL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563143-A ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISORDERS PFIZER INC. (US) 1996-10-08 US claimed
EP-0706795-A2 Catechol diether compounds as inhibitors of TNF release PFIZER INC. (US) 1996-04-17 EP claimed
CN-113906027-A Phenethyl substituted imidazo [4,5-c ] quinoline compounds with N-1 branched groups 3M创新有限公司 2022-01-07 CN disclosed
WO-2021107870-A1 ANTIMICROBIAL AGENT, COATING FORMULATION, COMPOSITE SURFACE COATING AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-06-03 WO disclosed
US-9802902-B2 Antifungal compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-31 US disclosed
US-20170037013-A1 ANTIFUNGAL COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-09 US disclosed
US-9493424-B2 Antifungal compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-15 US disclosed
US-20150203454-A1 ANTIFUNGAL COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-23 US disclosed
WO-2014025314-A1 An Antifungal Compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-02-13 WO disclosed
EP-2226632-B1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8450070-B2 Method for screening of cell-protecting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed
EP-0256982-B1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE SECONDARY ARYL AMINES CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed
EP-0419409-A2 Iridium complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
CN-1049664-A Optically active 4-hydroxyl-8-(3-low-alkoxy-4-phenyl sulfinyl phenyl) pyrazolo [1,5-α]-1,3,5-triazines salt and method for making thereof OTSUKA PHARMA CO LTD (JP) 1991-03-06 CN disclosed
EP-0414200-A2 Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl)pyrazolo [1,5-a]-1,3,5-triazines and a process for production thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-02-27 EP disclosed
US-4994615-A Hydrogenation of prochiral N-arylketimines using iridium catalyst CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
US-4990232-A Photooxidation of N,N*-substituted thiourea CIBA-GEIGY CORPORATION (US) 1991-02-05 US disclosed
EP-0307361-A2 Process for the preparation of carbodiimides CIBA-GEIGY AG (CH) 1989-03-15 EP disclosed
EP-0301457-A2 Process for the preparation of optically active secondary amines CIBA-GEIGY AG (CH) 1989-02-01 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-20150203454-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 SIGMAR1 4346/4885MAOA 528/4885L3MBTL1 2477/4885
US-20170037013-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 SIGMAR1 4346/4885MAOA 528/4885L3MBTL1 2477/4885

“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.