SCHEMBL954903

SCHEMBL954903

Brc1ccccc1OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DHFR P00374 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE4B Q07343 2/20 0.34
PTPN1 P18031 3/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL30788461 0.88 KDM4C (0.41) KMT2ASMN1; SMN2KDM4CGAADHFR
SCHEMBL6342508 0.88 KDM4C (0.41) KMT2ASMN1; SMN2KDM4CGAADHFR
SCHEMBL21916301 0.85 DHFR (0.38) KMT2AKDM4CDHFRPDE4BPTPN1
SCHEMBL30824895 0.84 SLC6A2 (0.36) HPGDLMNAKMT2AHTTSMN1; SMN2
SCHEMBL27390412 0.84 SLC6A2 (0.36) HPGDLMNAKMT2AHTTSMN1; SMN2
SCHEMBL16426107 0.84 PTPN1 (0.38) HPGDLMNAKMT2AHTTSMN1; SMN2
SCHEMBL11140998 0.82 PDE4B (0.39) KMT2ADHFRPDE4BPTPN1
SCHEMBL8954669 0.82 DHFR (0.43) HPGDLMNAKMT2AHTTSMN1; SMN2
SCHEMBL1423603 0.81 L3MBTL1 (0.42) KMT2AKDM4CRAB9ADHFRPDE4B
SCHEMBL2780758 0.81 L3MBTL1 (0.42) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
WO-2014106524-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-07-10 WO disclosed
US-8617723-B2 Metal complexes MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
US-20110012100-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-01-20 US disclosed
EP-1501840-B1 BRIDGED BI-AROMATIC LIGANDS, COMPLEXES, CATALYSTS, PROCESSES FOR POLYMERIZING AND POLYMERS THEREFROM SYMYX SOLUTIONS INC (US) 2010-12-22 EP disclosed
EP-2254896-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2010-12-01 EP disclosed
US-7659415-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX SOLUTIONS, INC. (US) 2010-02-09 US disclosed
US-7659415-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX SOLUTIONS, INC. (US) 2010-02-09 US disclosed
WO-2009118087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-10-01 WO disclosed
US-5698700-A Acetylenes disubstituted with 2-tetrahydropyranoxyaryl and aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN (US) 1997-12-16 US disclosed
WO-1997027189-A1 HALOGEN PYRIMIDINES AND ITS USE THEREOF AS PARASITE ABATEMENT MEANS BAYER AKTIENGESELLSCHAFT (DE) 1997-07-31 WO disclosed
EP-0749418-A1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-27 EP disclosed
WO-1996033716-A1 RARβ SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY ALLERGAN (US) 1996-10-31 WO disclosed
WO-1996020938-A1 ACETYLENES DISUBSTITUTED WITH 2-TETRAHYDROPYRANOXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
WO-1996020937-A1 ACETYLENES DISUBSTITUTED WITH HYDROXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
US-5534641-A Acetylenes disubstituted with 2-tetrahydropyranoxyaryl and aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-07-09 US disclosed
US-5498795-A ANTITUMOR AGENTS, SKIN DISORDERS, ATHEROSCLEROSIS, PROSTATE CANCER AND AUTOIMMUNE DISEASES ALLERGAN, INC. (US) 1996-03-12 US disclosed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO disclosed
US-4943566-A ANTAGONISTIC TOWARD GLUCOCORTICOIDS AND PROGESTERONE ROUSSEL UCLAFI 1990-07-24 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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES ESR1, EPX, SDHB HPGD 1225/4885LMNA 3804/4885KMT2A 1847/4885
US-20110012100-A1 METAL COMPLEXES AP1M1, AP3M1, SOD1 HPGD 2964/4885LMNA 3906/4885KMT2A 4013/4885

“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.