SCHEMBL122928

SCHEMBL122928

C#CCOc1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
CA4 P22748 5/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
GSTP1 P09211 1/20 0.48
CA7 P43166 1/20 0.48
MAOB P27338 9/20 0.44
MAOA P21397 7/20 0.44
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL20214393 0.88 GSTP1 (0.56) CA12CA9CA4CA1CA2
SCHEMBL5704167 0.83 CA12 (0.63) CA12CA9CA4CA1CA2
SCHEMBL7743518 0.80 MAOB (0.46) CA12CA9CA4CA1CA2
Hydrochloric Acid SCHEMBL21694040 0.80 CA12 (0.61) CA12CA9CA4CA1CA2
SCHEMBL919633 0.80 GAA (0.38) CA12CA9CA4CA1CA2
SCHEMBL22494 0.79 SYK (0.37) CA12CA9CA1MAOBPOLB
SCHEMBL920034 0.78 MAOB (0.44) CA12CA9CA4CA1CA2
SCHEMBL920287 0.77 MAOB (0.45) CA12CA9CA4CA1CA2
SCHEMBL72587 0.76 MAOB (0.56) CA12CA9CA4CA1CA2
SCHEMBL15800551 0.76 CA12 (0.57) CA12CA9CA4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557926-B Squaraine compound and preparation method and application thereof 深圳大学 2024-02-06 CN claimed
EP-3745505-B1 FUNCTIONALIZED LITHIUM ANODE FOR BATTERIES ACONDICIONAMIENTO TARRASENSE (ES) 2023-11-29 EP claimed
CN-116462616-A Alkynylamide compounds and application thereof 暨南大学 2023-07-21 CN claimed
CN-114436919-B Alpha-difluoro sulfur methyl ketone (alcohol) derivative and synthetic method thereof 华南理工大学 2023-01-06 CN claimed
CN-115557926-A Squarylium cyanine compound and preparation method and application thereof 深圳大学 2023-01-03 CN claimed
CN-114436919-A Alpha-difluoro sulfur methyl ketone (alcohol) derivative and synthetic method thereof 华南理工大学 2022-05-06 CN claimed
EP-3197277-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-12-22 EP claimed
CN-109704638-B Brake lining for automobile 桐庐宇鑫汽配有限公司 2021-03-26 CN claimed
EP-2915186-B1 FORMULATIONS OF SOLUTIONS AND PROCESSES FOR FORMING A SUBSTRATE INCLUDING AN ARSENIC DOPANT VERSUM MAT US LLC (US) 2020-10-28 EP claimed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US claimed
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP claimed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US claimed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US claimed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
EP-0621864-B1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES CIBA GEIGY AG (CH) 1996-12-27 EP claimed
WO-1993008183-A1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES CIBA-GEIGY AG (CH) 1993-04-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 CA12 3166/4885CA9 1382/4885CA4 1508/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CA12 2572/4885CA9 3467/4885CA4 3748/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 CA12 1750/4885CA9 799/4885CA4 1060/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 CA12 4328/4885CA9 2220/4885CA4 1987/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 CA12 4328/4885CA9 2220/4885CA4 1987/4885

“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.