SCHEMBL15213645

SCHEMBL15213645

c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.33
ALOX5 P09917 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
PLA2G2A P14555 2/20 0.30
PLA2G4A P47712 2/20 0.30

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
SCHEMBL19167384 0.99 AHR (0.32) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL19010993 0.99 AHR (0.32) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL15213678 0.99 AHR (0.32) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL24883126 0.97 PLA2G2A (0.31) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL24883007 0.96 AHR (0.30) AHRALOX5MEN1KMT2ATHRB
SCHEMBL21202779 0.96 AHR (0.30) AHRALOX5MEN1KMT2ATHRB
SCHEMBL23383227 0.96 MEN1 (0.32) AHRALOX5MEN1KMT2AMAPT
SCHEMBL19010442 0.96 MMP12 (0.34) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL19011107 0.95 MMP12 (0.35) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL19011099 0.95 MMP12 (0.33) AHRALOX5MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11387414-B2 Spirobifluorene compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-07-12 US disclosed
US-10944056-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-03-09 US disclosed
US-20200235305-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-23 US disclosed
US-20180019405-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-01-18 US disclosed
US-20180019405-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-01-18 US disclosed
EP-3101088-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-29 EP disclosed
US-9812648-B2 Spirobifluorene compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9812648-B2 Spirobifluorene compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
EP-3235892-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-10-25 EP disclosed
EP-3101088-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2016-12-07 EP disclosed
US-20150065730-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-03-05 US disclosed
US-20150065730-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-03-05 US disclosed
WO-2013120577-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-22 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 (4 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-20180019405-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM AHR 3734/4885ALOX5 1831/4885MEN1 331/4885
US-11387414-B2 Spirobifluorene compounds for organic electroluminescent devices PKD1, PIEZO1, AQP1 AHR 2951/4885ALOX5 2947/4885MEN1 500/4885
US-20200235305-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES PKD1, PIEZO1, AQP1 AHR 2851/4885ALOX5 2695/4885MEN1 541/4885
US-10944056-B2 Materials for organic electroluminescent devices PIEZO1, TMEM109, EPN1 AHR 3546/4885ALOX5 2575/4885MEN1 358/4885

“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.