SCHEMBL21702895

SCHEMBL21702895

c1ccc(-c2cc(-c3ccccc3)c3c(c2-c2ccccc2)-c2ccc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c4cccc-3c24)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ RECQL P46063 1/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ CACNG8 Q8WXS5 1/20 0.36

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
SCHEMBL9976971 0.93 HDAC1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL16658489 0.90 ESR1 (0.46) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL26254588 0.90 HDAC1 (0.43) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL9611870 0.88 ESR1 (0.51) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL9611829 0.88 ESR1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL24631222 0.88 HDAC1 (0.43) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL9976977 0.87 ESR1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL16117615 0.87 ESR1 (0.52) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL18708639 0.86 ESR1 (0.44) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL25643088 0.86 HDAC1 (0.42) 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-11142538-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-10-12 — — US disclosed
US-20200048290-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-02-13 — — 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-20200048290-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ESRRG, ESR2, GLRA2 ESR1 38/4885ESR2 2/4885HDAC1 828/4885
US-11142538-B2 Organic electroluminescent materials and devices ESRRG, ESR2, GLRA2 ESR1 38/4885ESR2 2/4885HDAC1 828/4885

“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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