SCHEMBL6543802

SCHEMBL6543802

CC(C)(C)c1c[c]cc(C(C)(C)C)c1N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32

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
SCHEMBL5100912 0.74 KDM4E (0.33) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL28404958 0.72 KDM4E (0.32) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL99193 0.72 CA2 (0.52) POLBKDM4EALDH1A1CYP1A2MAPT
SCHEMBL27403125 0.72 AOC3 (0.35)
Water SCHEMBL28586819 0.70 ALDH1A1 (0.54) POLBKDM4EALDH1A1CYP1A2MAPT
SCHEMBL138254 0.69 CA2 (0.55) POLBKDM4EALDH1A1CYP1A2MAPT
SCHEMBL28466608 0.69 HSPA5 (0.31)
SCHEMBL458512 0.69 PTGS2 (0.39) ALDH1A1ALOX15
SCHEMBL19119512 0.67 CA2 (0.39) POLBKDM4EALDH1A1CYP1A2MAPT
SCHEMBL1930777 0.67 ALDH1A1 (0.56) POLBKDM4EALDH1A1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107974080-B Polyamide moulding compositions and multilayer structures made therefrom EMS专利股份公司 2021-07-20 CN claimed
EP-3312224-B1 POLYAMIDE MOULDING COMPOSITION AND MULTI-LAYERED STRUCTURE MADE HEREFROM EMS PATENT AG (CH) 2018-12-26 EP claimed
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 CN claimed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP claimed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US claimed
US-6225419-B1 IN WOOD GLUE SHELL OIL COMPANY 2001-05-01 US claimed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN claimed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP claimed
CN-107974080-B Polyamide moulding compositions and multilayer structures made therefrom EMS专利股份公司 2021-07-20 CN disclosed
CN-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed
CN-106083927-A Phosphinyl amidine compound, metal complex, antigravity system and their oligomeric or purposes of olefin polymerization 切弗朗菲利浦化学公司 2016-11-09 CN disclosed
CN-102781949-B Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins 切弗朗菲利浦化学公司 2016-07-06 CN disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-6225419-B1 IN WOOD GLUE SHELL OIL COMPANY 2001-05-01 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
CN-1251119-A Polymeric amines SHELL INT RESEARCH (NL) 2000-04-19 CN disclosed
EP-0970138-A1 POLYMERIC AMINES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2000-01-12 EP disclosed
US-5952459-A AN OLEFIN-CARBON MONOXIDE POLYMER HAVING N-SUBSTITUTED 2,5-PYRROLEDIYL GROUPS INCORPORATED IN THE BACKBONE; A CURABLE RESIN AS THE GLUES FOR GLUING WOOD PRODUCTS SHELL OIL COMPANY (US) 1999-09-14 US disclosed
WO-1998042770-A1 POLYMERIC AMINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1998-10-01 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 (1 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 POLB 3006/4885KDM4E 1467/4885ALDH1A1 963/4885

“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.