SCHEMBL5324129

SCHEMBL5324129

O=CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.57
FFAR1 O14842 2/20 0.53
TSHR P16473 1/20 0.52
SRD5A2 P31213 3/20 0.52
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
MAOA P21397 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
EPHX2 P34913 1/20 0.45
GSTP1 P09211 1/20 0.44
SOS1 Q07889 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PARP10 Q53GL7 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
SCHEMBL3719408 0.85 LTA4H (0.47) LTA4HFFAR1TSHRSRD5A2MAOA
SCHEMBL5801716 0.82 SRD5A2 (0.53) LTA4HFFAR1SRD5A2PARP10
SCHEMBL7185148 0.82 FFAR1 (0.58) LTA4HFFAR1TSHRSRD5A2FFAR4
SCHEMBL5311815 0.82 KDM4E (0.51) LTA4HFFAR1TSHRMAOAFFAR4
SCHEMBL4457868 0.81 ALDH1A1 (0.59) LTA4HTSHRCA1CA2CA9
SCHEMBL14782754 0.81 ALDH1A1 (0.58) TSHRMAOAPARP10
SCHEMBL6243400 0.81 APP (0.47) LTA4H
SCHEMBL9064200 0.81 LTA4H (0.55) LTA4HFFAR1TSHRSRD5A2NR1H2
SCHEMBL5606838 0.81 TSHR (0.59) LTA4HFFAR1TSHRSRD5A2NR1H2
SCHEMBL6446133 0.81 MAOB (0.48) LTA4HMAOAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403459-B Preparation method of 1, 4-dicarbonyl compound 广州自远生物科技有限公司 2024-02-27 CN disclosed
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
EP-3052476-A2 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE Beijing Synercare Pharma Tech Co., Ltd. (CN) 2016-08-10 EP disclosed
EP-2855488-B1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2016-04-13 EP disclosed
WO-2015048662-A2 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE X-RX DISCOVERY, INC. (US) 2015-04-02 WO disclosed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed
EP-0989982-B1 BARBITURIC ACID DERIVATIVES WITH ANTIMETASTATIC AND ANTITUMOR ACTIVITY ROCHE DIAGNOSTICS GMBH (DE) 2005-08-17 EP disclosed
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
US-6335332-B1 MATRIX METALLOPROTEASE INHIBITORS; CONTRACEPTIVES, ANTIINFLAMMATORY AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2002-01-01 US disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 LTA4H 2731/4885FFAR1 2893/4885TSHR 4442/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA LTA4H 641/4885FFAR1 566/4885TSHR 2541/4885

“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.