SCHEMBL3825486

SCHEMBL3825486

CCOc1cc(OCC)nc(OCC)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
MAT2A P31153 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NQO1 P15559 1/20 0.36

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
SCHEMBL16608782 0.87 LMNA (0.55) MEN1KMT2ACYP1A2MAPK1ALDH1A1
SCHEMBL6333728 0.86 L3MBTL1 (0.48) MEN1KMT2ACYP1A2LMNAEDNRB
SCHEMBL6333835 0.86 EDNRB (0.42) MEN1KMT2AMAPK1ALDH1A1NPC1
SCHEMBL8388439 0.85 POLB (0.41) MEN1KMT2ACYP1A2MAPK1ALDH1A1
SCHEMBL20606895 0.85 ALDH1A1 (0.44) MEN1KMT2ACYP1A2MAPK1ALDH1A1
SCHEMBL10579090 0.83 POLB (0.37) MEN1KMT2ACYP1A2MAPK1ALDH1A1
SCHEMBL8111864 0.83 KMT2A (0.35) MEN1KMT2ACYP1A2MAPK1ALDH1A1
SCHEMBL17995529 0.82 MEN1 (0.42) MEN1KMT2ACYP1A2MAPK1ALDH1A1
SCHEMBL1421836 0.80 SMN1; SMN2 (0.42) MAPK1ALDH1A1NPC1RAB9ALMNA
SCHEMBL6336311 0.78 ALDH1A1 (0.41) MEN1KMT2AMAPK1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 US disclosed
US-20050171350-A1 Benzhydryl derivatives FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2005-08-04 US disclosed
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 WO disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 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 (2 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-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 MEN1 550/4885KMT2A 2775/4885CYP1A2 3008/4885
US-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 MEN1 233/4885KMT2A 1046/4885CYP1A2 1900/4885

“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.