SCHEMBL15213639

SCHEMBL15213639

c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
WEE1 P30291 1/20 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
SCHEMBL19168886 1.00 AHR (0.32) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL26026385 0.97 AHR (0.32) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL25472860 0.97 AHR (0.33) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL16491640 0.95 AHR (0.32) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL23278324 0.94
SCHEMBL25576972 0.94 AHR (0.31) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL19168796 0.94 AHR (0.32) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL25472856 0.93 MAPT (0.36) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL19163756 0.93
SCHEMBL23278217 0.93

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
WO-2023117836-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
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
EP-2814906-B1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-10-19 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 3734/4885KDM4E 3061/4885MEN1 331/4885
US-11387414-B2 Spirobifluorene compounds for organic electroluminescent devices PKD1, PIEZO1, AQP1 AHR 2951/4885KDM4E 4609/4885MEN1 500/4885
US-20200235305-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES PKD1, PIEZO1, AQP1 AHR 2851/4885KDM4E 4428/4885MEN1 541/4885
US-10944056-B2 Materials for organic electroluminescent devices PIEZO1, TMEM109, EPN1 AHR 3546/4885KDM4E 4050/4885MEN1 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.