SCHEMBL1760310

SCHEMBL1760310

CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3[nH]c4ccccc4c3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
PGR P06401 1/20 0.41
KIF11 P52732 6/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
GPR3 P46089 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.37
CNR1 P21554 1/20 0.36
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35

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
SCHEMBL24633223 0.95 AHR (0.45) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL15413777 0.88 PGR (0.41) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL17117665 0.86 TNKS2 (0.43) AHRPGRKIF11KDM4EMAPT
SCHEMBL18519189 0.86 AHR (0.45) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL14979109 0.86 CDK4 (0.39) AHRPGRTNKS2PDK2
SCHEMBL2618791 0.85 AHR (0.44) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL19061325 0.85 KIF11 (0.44) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL19061342 0.85 AHR (0.42) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL29438560 0.84 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL31619 0.84 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9876181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-01-23 US disclosed
US-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
WO-2016023608-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-18 WO disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
WO-2011057701-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-19 WO disclosed
WO-2011057701-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-19 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 (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-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, ETFA, TST AHR 1234/4885PGR 3587/4885KIF11 2725/4885
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES PIEZO1, EMC1, EPCAM AHR 2771/4885PGR 1576/4885KIF11 1798/4885

“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.