SCHEMBL670580

SCHEMBL670580

COc1ccc(C#CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
NLRP3 Q96P20 1/20 0.57
FFAR1 O14842 4/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACACB O00763 1/20 0.49
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HAO1 Q9UJM8 1/20 0.47
NAAA Q02083 1/20 0.46

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
SCHEMBL18104880 0.86 APP (0.60) APPMEN1NPC1POLBRAB9A
SCHEMBL4485467 0.84 APP (0.58) APPMEN1NPC1POLBRAB9A
SCHEMBL11814749 0.84 KDM4E (0.53) APPMEN1NPC1POLBRAB9A
SCHEMBL6241316 0.83 NPC1 (0.65) APPMEN1NPC1POLBRAB9A
SCHEMBL9629232 0.82 FFAR1 (0.50) APPMEN1NPC1RAB9AKMT2A
SCHEMBL17845127 0.82 APP (0.57) APPMEN1NPC1POLBRAB9A
SCHEMBL13701023 0.82 APP (0.57) APPMEN1NPC1POLBRAB9A
SCHEMBL10069794 0.81 APP (0.84) APPMEN1NPC1POLBRAB9A
SCHEMBL27914449 0.81 FFAR1 (0.56) NPC1FFAR1ACACB
SCHEMBL10069797 0.80 APP (0.72) APPMEN1NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
JP-2002537300-A 2002-11-05 JP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP claimed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO claimed
CN-122059959-A Synthesis method and application of pyrrolo [2,1-a ] isoquinoline compound 河南工业大学 2026-05-19 CN disclosed
US-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-10-05 US disclosed
CN-106187969-B A kind of preparation method of 4- aryl-coumarin class compound 山东省医学科学院药物研究所 2019-03-26 CN disclosed
EP-2576488-B1 PROCESS FOR CIS-1,1,1,4,4,4,-HEXAFLUORO-2-BUTENE HONEYWELL INT INC (US) 2018-10-03 EP disclosed
CN-104945220-B Process for the production of fluorinated alkenes 霍尼韦尔国际公司 2017-01-11 CN disclosed
CN-105061161-B A kind of conjugation 1, the preparation method of 3-eneyne derivant 温州大学 2017-01-04 CN disclosed
CN-106187969-A A kind of preparation method of 4 aryl-coumarin compounds 山东省医学科学院药物研究所 2016-12-07 CN disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 US disclosed
WO-2000024742-A1 PYRAZOLOPYRIDINE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-04 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP disclosed
US-5075488-A Fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-12-24 US disclosed
EP-0128006-B1 A SOIL-DISEASE-CONTROLLING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-4709052-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-24 US disclosed
EP-0128006-A2 A soil-disease-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 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-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS CRY1, CBR3, C1S APP 2413/4885MEN1 1410/4885NPC1 2740/4885
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 APP 1031/4885MEN1 1981/4885NPC1 4001/4885

“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.