SCHEMBL423289

SCHEMBL423289

Cc1cccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
NQO2 P16083 2/20 0.42
CYP19A1 P11511 1/20 0.41
GSK3B P49841 1/20 0.40
MAP3K14 Q99558 1/20 0.40
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
EED O75530 1/20 0.38
MAOB P27338 2/20 0.38
BAD Q92934 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TXNRD1 Q16881 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
SCHEMBL90937 0.82 ITGB2 (0.50) MAP3K14
SCHEMBL1224045 0.79 ABCG2 (0.52) ABCG2NQO2GSK3BGAAPKM
SCHEMBL30521296 0.79 ABCG2 (0.52) ABCG2NQO2GSK3BGAAPKM
SCHEMBL13255085 0.79 ABCG2 (0.52) ABCG2MAP3K14GAAPKMTSHR
SCHEMBL436487 0.78 MAP3K14 (0.46) MAP3K14MAOB
SCHEMBL15982282 0.77 SMN1; SMN2 (0.56) MAP3K14GAA
SCHEMBL15982298 0.77 SMN1; SMN2 (0.56) MAP3K14GAA
SCHEMBL15982274 0.77 SMN1; SMN2 (0.56) MAP3K14GAA
SCHEMBL7594061 0.76 ABCG2 (0.55) ABCG2GSK3BPKMTSHREED
SCHEMBL6569085 0.75 MAP3K14 (0.36) NQO2MAP3K14GAATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof SIMON FRASER UNIVERSITY (CA) 2011-12-08 US claimed
EP-2344452-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Simon Fraser University (CA) 2011-07-20 EP claimed
WO-2010037207-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2010-04-08 WO claimed
EP-3191484-B1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-12 EP disclosed
WO-2024059661-A1 N-(BENZHYDRYL)CYCLOALKYLCARBOXAMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
EP-0291799-B1 DIOXYALKYLENEARYL-DIHYDROPYRIDINES AND THEIR INTERMEDIARY COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1993-06-16 EP disclosed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 EP disclosed
US-4886816-A CARDIOTONIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
EP-0291799-A2 Dioxyalkylenearyl-dihydropyridines and their intermediary compounds, process for their preparation and their use BAYER AG (DE) 1988-11-23 EP disclosed
US-4427666-A 3,5-Dihalogeno-1,2-methylenedioxybenzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US disclosed
EP-0004895-B1 DICHLOROBENZODIOXOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNERGETIC AGENTS IN INSECTICIDAL AND ACARICIDAL COMPOSITIONS BAYER AG (DE) 1981-04-01 EP disclosed
US-4250187-A 4,5-Dichloro-3-organo-1,2-methylenedioxy-benzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
EP-0004895-A2 Dichlorobenzodioxole derivatives, process for their preparation and their use as synergetic agents in insecticidal and acaricidal compositions BAYER AG (DE) 1979-10-31 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 (4 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-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof ENGASE, OGA, GPI ABCG2 451/4885NQO2 721/4885CYP19A1 3208/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ ABCG2 2630/4885NQO2 3201/4885CYP19A1 2627/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR ABCG2 1774/4885NQO2 3760/4885CYP19A1 1759/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 ABCG2 310/4885NQO2 1597/4885CYP19A1 283/4885

“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.