SCHEMBL2295602

SCHEMBL2295602

C=CCNCC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
EGFR P00533 2/20 0.55
MAOB P27338 1/20 0.54
PARP10 Q53GL7 1/20 0.54
SRD5A2 P31213 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PLA2G4B P0C869 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL2295339 0.83 BCHE (0.64) RAB9AALDH1A1NR4A1NR4A2NR4A3
SCHEMBL2299514 0.82 MAOB (0.61) RAB9ANPC1ALDH1A1NR4A1NR4A2
SCHEMBL4413289 0.81 KDM4E (0.60) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2295843 0.81 BCHE (0.61) NR4A1NR4A2NR4A3EGFRMAOB
SCHEMBL2294574 0.79 MAOB (0.65) RAB9ANPC1ALDH1A1NR4A1NR4A2
SCHEMBL29953819 0.77 NR4A1 (0.66) RAB9AALDH1A1NR4A1NR4A2NR4A3
SCHEMBL9718167 0.77 NR4A1 (0.70) RAB9ANPC1ALDH1A1NR4A1NR4A2
SCHEMBL2294560 0.77 ENPP3 (0.50) ALDH1A1KDM4EEGFRSMN1; SMN2MAPT
SCHEMBL2294714 0.77 BCHE (0.63) RAB9ANPC1ALDH1A1NR4A1NR4A2
SCHEMBL27396445 0.77 MAOB (0.66) RAB9ANPC1ALDH1A1NR4A1NR4A2

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 7 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
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
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

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 RAB9A 3397/4885NPC1 1685/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 RAB9A 3397/4885NPC1 1685/4885ALDH1A1 1251/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 RAB9A 3397/4885NPC1 1685/4885ALDH1A1 1251/4885

“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.