SCHEMBL648207

SCHEMBL648207

[c]1ccc(C2=CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.46
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 1/20 0.37
PSMB5 P28074 4/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC3 O15379 2/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TYMP P19971 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2761444 0.98 ACMSD (0.45) ACMSDTDP1PTGS2PSMB5HDAC1
SCHEMBL29111655 0.98 ACMSD (0.45) ACMSDTDP1PTGS2PSMB5HDAC1
SCHEMBL10793646 0.98 ACMSD (0.45) ACMSDTDP1PTGS2PSMB5HDAC1
SCHEMBL6980151 0.93 ACMSD (0.44) ACMSDTDP1PTGS2PSMB5HDAC1
SCHEMBL10793933 0.83 ACMSD (0.53) ACMSDTDP1PTGS2PSMB5HDAC1
SCHEMBL28019816 0.80
SCHEMBL676952 0.77 ACMSD (0.36) ACMSDTDP1PTGS2PSMB5HDAC1
SCHEMBL8380044 0.76 ACMSD (0.49) ACMSDTDP1PTGS2MEN1KMT2A
SCHEMBL191429 0.76 ACMSD (0.49) ACMSDTDP1PTGS2MEN1KMT2A
SCHEMBL8360447 0.74 ACMSD (0.47) ACMSDTDP1PTGS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO claimed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP claimed
CN-107528006-B Organic light emitting device 三星显示有限公司 2021-03-19 CN claimed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO claimed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP claimed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US claimed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
CN-101610995-A Novel glucagon receptor antagonists METABASIS THERAPEUTICS INC (US) 2009-12-23 CN claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
US-20040220413-A1 Method of producing optically active aziridine compounds and amine compounds KYUSHU UNIVERSITY (JP) 2004-11-04 US claimed
EP-1449831-A1 Method of producing optically active aziridine compounds and amine compounds Kyushu University (JP) 2004-08-25 EP claimed
US-4677184-A Polycarbonate containing cycloalkenylphenyl terminal groups GENERAL ELECTRIC COMPANY (US) 1987-06-30 US claimed
CN-111826169-B Liquid crystal composition, use thereof, and liquid crystal display element 捷恩智株式会社 2024-03-19 CN disclosed
CN-117247323-A Amine compound and organic light emitting device including the same 三星显示有限公司 2023-12-19 CN disclosed
US-4032461-A PHOSPHORUS AND SULFUR CONTAINING AMIDES AND THIOAMIDES AS LUBRICATING OIL ADDITIVES AND LUBRICATING OIL COMPOSITIONS CONTAINING SAME THE LUBRIZOL CORPORATION (US) 1977-06-28 US disclosed
US-4031023-A Lubricating compositions and methods utilizing hydroxy thioethers THE LUBRIZOL CORPORATION (US) 1977-06-21 US disclosed
US-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 ACMSD 3297/4885TDP1 4549/4885PTGS2 2305/4885
US-20040220413-A1 Method of producing optically active aziridine compounds and amine compounds AOC2, AZI2, SRM ACMSD 139/4885TDP1 3968/4885PTGS2 1468/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA ACMSD 4722/4885TDP1 805/4885PTGS2 1678/4885

“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.