SCHEMBL17470542

SCHEMBL17470542

CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
RECQL P46063 1/20 0.42
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
PTGER4 P35408 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
ATR Q13535 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
GSK3B P49841 1/20 0.39
ROCK1 Q13464 1/20 0.39
GSR P00390 1/20 0.38

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
SCHEMBL21158005 0.97 ESR1 (0.44) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL17470440 0.97 ESR1 (0.44) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL17470577 0.96 ESR1 (0.44) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL17470561 0.94 ESR1 (0.42) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL19193719 0.94 ESR1 (0.44) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL17470480 0.94 ESR1 (0.44) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL17470629 0.94 ESR1 (0.46) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL19193792 0.94 ESR1 (0.44) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL18999372 0.94 ESR1 (0.46) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL20776017 0.93 ESR1 (0.45) ESR1ESR2MAPK1HTTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172775-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-04-20 EP disclosed
US-20170222157-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-08-03 US disclosed
US-20170222157-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-08-03 US disclosed
WO-2016012075-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-01-28 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-20170222157-A1 MATERIALS FOR ELECTRONIC DEVICES EYA3, EYA2, MITF ESR1 12/4885ESR2 90/4885MAPK1 2385/4885

“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.