SCHEMBL2297276

SCHEMBL2297276

COc1ccc(CNC[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.52
ADRB3 P13945 1/20 0.51

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
SCHEMBL2295136 1.00 BCHE (0.63) BCHEMEN1KMT2AKDM4EGAA
SCHEMBL323593 0.92 BCHE (0.64) BCHELMNA
SCHEMBL2299217 0.92 BCHE (0.64) BCHELMNA
SCHEMBL2295371 0.92 BCHE (0.64) BCHELMNA
SCHEMBL6715245 0.91 KDM4E (0.60) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL22461412 0.88 KDM4E (0.67) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL2298148 0.84 APLNR (0.51) BCHEMEN1KMT2AGAASMN1; SMN2
SCHEMBL2295540 0.84 APLNR (0.51) BCHEMEN1KMT2AGAASMN1; SMN2
SCHEMBL2294352 0.83 MEN1 (0.53) BCHEMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2298783 0.83 MEN1 (0.53) BCHEMEN1KMT2AKDM4ESMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 BCHE 724/4885MEN1 1671/4885KMT2A 1798/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 BCHE 724/4885MEN1 1671/4885KMT2A 1798/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 BCHE 724/4885MEN1 1671/4885KMT2A 1798/4885

“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.