SCHEMBL21158005

SCHEMBL21158005

CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.40
PTGER4 P35408 1/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
CACNG2 Q9Y698 1/20 0.39
MAPK10 P53779 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ATR Q13535 1/20 0.37
TP53 P04637 2/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL17470440 1.00 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17470577 0.99 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17470561 0.97 ESR1 (0.42) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17470542 0.97 ESR1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17470524 0.96 ESR1 (0.41) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL19193719 0.95 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL21158003 0.95 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17470480 0.95 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17470529 0.94 ESR1 (0.39) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL19193792 0.93 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2021-11-23 US disclosed
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-11 US 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-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer SLC8B1, SLC9A2, SLC9B2 ESR1 264/4885ESR2 425/4885HDAC1 4518/4885
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER SLC8B1, SLC9A2, SLC9B2 ESR1 264/4885ESR2 425/4885HDAC1 4518/4885

“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.