SCHEMBL22963489

SCHEMBL22963489

c1ccc(-n2c(-c3cccc(-c4ccc(-c5cccc6c5ccc5cccnc56)cc4)c3)nc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPK10 P53779 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ TOP1 P11387 2/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ ROCK1 Q13464 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
SCHEMBL22963563 0.96 ESR1 (0.45) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963392 0.96 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963225 0.95 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963318 0.94 ESR1 (0.45) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963573 0.93 ESR1 (0.46) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963450 0.92 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963691 0.91 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963427 0.90 RECQL (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963407 0.90 RECQL (0.46) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL22963422 0.88 ESR1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210043843-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND DISPLAY DEVICE SK MATERIALS CO., LTD. (KR) 2021-02-11 — — 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 (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-20210043843-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND DISPLAY DEVICE ALDH1A2, L1CAM, OCIAD1 ESR1 20/4885ESR2 205/4885HDAC1 3760/4885

“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.

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