SCHEMBL10028087

SCHEMBL10028087

c1ccc(-c2cc3ccc4oc5cc(-c6ccccc6)cc6ccc7oc(c2)c3c4-c7c65)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
ABCG2 Q9UNQ0 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
FYN P06241 1/20 0.38
MAPK3 P27361 1/20 0.38
AHR P35869 1/20 0.38
PAX8 Q06710 1/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HSD11B1 P28845 1/20 0.36
MAOB P27338 1/20 0.35
WEE1 P30291 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL10028081 0.88 PGR (0.39) PGRABCG2CYP1A1CYP1A2FYN
SCHEMBL10028190 0.86 PGR (0.37) PGRABCG2CYP1A1CYP1A2FYN
SCHEMBL10028085 0.86 ESR1 (0.43) PGRCYP1A2AHRESR1ESR2
SCHEMBL10028189 0.85 CYP1A2 (0.36) PGRABCG2CYP1A1CYP1A2FYN
SCHEMBL10028084 0.82 ALDH1A1 (0.40) PGRCCNCCDK8CYP1A2L3MBTL1
SCHEMBL10028203 0.78 CYP1A2 (0.39) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL10028097 0.78 NPC1 (0.40) KDM4EKMT2AMAPTALDH1A1NPC1
SCHEMBL10028082 0.78 CTSD (0.40) CYP1A2GAAKDM4EMEN1KMT2A
SCHEMBL10028088 0.77 MEN1 (0.40) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL10028197 0.77 AHR (0.38) ABCG2CYP1A1CYP1A2FYNMAPK3

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
EP-2046915-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed
US-9040966-B2 Method for producing organic transistor, organic transistor, method for producing semiconductor device, semiconductor device, and electronic apparatus SONY CORPORATION (JP) 2015-05-26 US disclosed
US-20140312335-A1 MANUFACTURING METHOD OF ORGANIC SEMICONDUCTOR ELEMENT, ORGANIC SEMICONDUCTOR ELEMENT, GROWTH METHOD OF ORGANIC SINGLE CRYSTAL THIN FILM, ORGANIC SINGLE CRYSTAL THIN FILM, ELECTRONIC DEVICE, AND ORGANIC SINGLE CRYSTAL THIN FILM GROUP SONY CORPORATION (JP) 2014-10-23 US disclosed
US-20140264314-A1 METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR ELEMENT, SEMICONDUCTOR ELEMENT, AND ELECTRONIC APPARATUS SONY CORPORATION (JP) 2014-09-18 US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
WO-2008011964-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-31 WO 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 (1 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 PGR 2037/4885CCNC 1590/4885CDK8 1201/4885

“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.