SCHEMBL1640157

SCHEMBL1640157

COc1ccc(OCCOC2CCCCO2)c(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
ERN1 O75460 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
FDPS P14324 1/20 0.36
PTPN1 P18031 1/20 0.36
POLB P06746 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
SCHEMBL14260678 0.84 MEN1 (0.41) RAB9ANPC1MEN1KMT2AKDM4C
SCHEMBL31428576 0.82 FDPS (0.61) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL19352691 0.81 MEN1 (0.45) RAB9ANPC1MEN1KMT2AKDM4C
SCHEMBL12634797 0.81 ALDH1A1 (0.55) RAB9ANPC1MEN1KMT2AKDM4C
SCHEMBL31267284 0.79 MEN1 (0.40) RAB9ANPC1MEN1KMT2AKDM4C
SCHEMBL10391649 0.78 LMNA (0.39) RAB9ANPC1MEN1KMT2AKDM4C
SCHEMBL4848189 0.78 ADRB2 (0.37) RAB9ANPC1MEN1KMT2AKDM4C
SCHEMBL29963590 0.77 FDPS (0.58) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4119494 0.77 MEN1 (0.58) RAB9ANPC1MEN1KMT2AKDM4C
SCHEMBL10538901 0.77 MEN1 (0.39) RAB9ANPC1MEN1KMT2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321279-B1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT PIRAMAL IMAGING SA (CH) 2014-07-02 EP disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
EP-2321279-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES LEHMANN LUTZ 2011-04-28 US disclosed
US-7803960-B2 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-28 US disclosed
WO-2010015340-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-11 WO disclosed
WO-2010015387-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-11 WO disclosed
EP-2064176-A1 PHENYLOXYANILINE DERIVATIVES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-03 EP disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
WO-2008028533-A1 PHENYLOXYANILINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
EP-1894915-A1 Phenyloxyaniline derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-05 EP 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-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT GABRA6, GABRA4, GABRA1 RAB9A 1848/4885NPC1 1746/4885MEN1 1074/4885
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES PNMT, PAH, NAT1 RAB9A 3645/4885NPC1 3813/4885MEN1 4239/4885
US-20080177108-A1 Phenyloxyaniline derivatives PNMT, PAH, NAT1 RAB9A 3645/4885NPC1 3813/4885MEN1 4239/4885

“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.