SCHEMBL9976878

SCHEMBL9976878

c1ccc(-n2c(-c3ccc(-c4cc5ccc6ccccc6c5c5ccccc45)cc3)nc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
CACNG2 Q9Y698 1/20 0.46
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
PTGS2 P35354 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 7/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41
PTGER4 P35408 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL9611911 0.96 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976886 0.93 ESR1 (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12144426 0.92 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976911 0.91 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12144414 0.91 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9611734 0.91 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9611914 0.91 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9611791 0.90 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976896 0.90 RECQL (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25112785 0.90 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9006503-B2 Organic electroluminescence devices containing substituted benzo[C]phenanthrenes MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006503-B2 Organic electroluminescence devices containing substituted benzo[C]phenanthrenes MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-8710284-B2 Materials for organic electroluminescent devices containing substituted 10-benzo[c]phenanthrenes MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
US-8710284-B2 Materials for organic electroluminescent devices containing substituted 10-benzo[c]phenanthrenes MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010083869-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 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-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES DDT, DDC, BMI1 ESR1 504/4885ESR2 942/4885GRIA1 3608/4885

“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.