SCHEMBL303817

SCHEMBL303817

CC(C)CN(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
PIK3CD O00329 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
SCHEMBL8986513 0.96 MEN1 (0.38) MEN1KMT2ACA12CA1CA2
SCHEMBL19658041 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL24733052 0.81 MEN1 (0.33) MEN1KMT2AMAPK1
SCHEMBL24732987 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL25790341 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL24733089 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL17914505 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL22525224 0.73
SCHEMBL15955847 0.72 CYP1A2 (0.39) MEN1KMT2ACA12CA1CA2
SCHEMBL339999 0.72 CA12 (0.38) CA12CA1CA2CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109012747-B Application of copper (I) coordination polymer 苏州大学 2021-02-12 CN claimed
CN-109012747-A A kind of purposes of copper (I) coordination polymer 苏州大学 2018-12-18 CN claimed
CN-105503946-B The manufacturing method of hydroxymethyl phosphonic acid ester, polyurethane foam formation composition, polyurethane foam and the product being made from it ICL-IP美国公司 2018-10-12 CN claimed
US-9708242-B2 Method of manufacturing nitrone compound NATIONAL CHUNG CHENG UNIVERSITY (TW) 2017-07-18 US claimed
EP-2243769-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE FLUOROAMINE CENTRAL GLASS CO LTD (JP) 2017-06-28 EP claimed
US-20170036989-A1 Method of Manufacturing Nitrone Compound NATIONAL CHUNG CHENG UNIVERSITY 2017-02-09 US claimed
CN-105968374-A Copper (I) coordination polymer and preparation method and application thereof 苏州大学 2016-09-28 CN claimed
CN-105949072-A Preparation method and intermediate of beta-substituted amino-gamma-substituted aryl butyric acid 苏州敬业医药化工有限公司 2016-09-21 CN claimed
CN-105503946-A Method for making hydroxymethylphosphonate, polyurethane foam-forming compositions, polyurethane foam and articles made therefrom ICL-IP America Inc 2016-04-20 CN claimed
CN-102256987-B Hydroxymethylphosphonate, polyurethane foam-forming compositions, polyurethane foams, and methods of making articles made therefrom ICL-IP AMERICA INC. (US) 2016-01-13 CN claimed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US claimed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US claimed
EP-1706408-A2 PROCESSES FOR THE PREPARATION OF PYRAZOLO[1,5- A] -1,3,5-TRIAZINES AND INTERMEDIATES THEREOF Bristol-Myers Squibb Pharma Company (US) 2006-10-04 EP claimed
US-20050153074-A1 Method of activating a silicon surface for subsequent patterning of molecules onto said surface SONY DEUTSCHLAND GMBH (DE) 2005-07-14 US claimed
US-20050143380-A1 Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-06-30 US claimed
WO-2005051954-A2 PROCESSES FOR THE PREPARATION OF PYRAZOLO[1,5-a]-1,3,5-TRIAZINES AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-09 WO claimed
EP-1538481-A1 A method of activating a silicon surface for subsequent patterning of molecules onto said surface Sony International (Europe) GmbH (DE) 2005-06-08 EP claimed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US claimed
EP-0507896-A1 HAIR-FIXING AGENT. WELLA AG (DE) 1992-10-14 EP claimed
WO-1992007545-A1 HAIR-FIXING AGENT WELLA AKTIENGESELLSCHAFT (DE) 1992-05-14 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885CA12 4774/4885
US-20170036989-A1 Method of Manufacturing Nitrone Compound NOS1, NOS2, NOX5 MEN1 2003/4885KMT2A 887/4885CA12 4343/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885CA12 4774/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885CA12 4774/4885
US-20050143380-A1 Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof CRHR1, CRH, CRHR2 MEN1 1780/4885KMT2A 4020/4885CA12 3829/4885

“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.