SCHEMBL22955741

SCHEMBL22955741

c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c5ccccc45)c3)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
HDAC1 Q13547 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
PTGER4 P35408 1/20 0.46
RECQL P46063 1/20 0.45
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
GSK3B P49841 1/20 0.44
ROCK1 Q13464 1/20 0.44
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL18999481 0.99 ESR1 (0.56) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL26343636 0.96 ESR1 (0.53) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL26343739 0.95 ESR1 (0.55) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL12571661 0.94 ESR1 (0.51) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14506002 0.94 ESR1 (0.51) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL21769778 0.93 ESR1 (0.53) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL26343669 0.93 ESR1 (0.53) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL21250854 0.93 ESR1 (0.48) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL10023210 0.92 ALDH1A1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL10023106 0.92 ESR1 (0.50) 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-20210036230-A1 Organic Material for an Electronic Optoelectronic Device and Electronic Device Comprising the Organic Material NOVALED GMBH (DE) 2021-02-04 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-20210036230-A1 Organic Material for an Electronic Optoelectronic Device and Electronic Device Comprising the Organic Material OCIAD1, OCIAD2, OR10J3 ESR1 200/4885ESR2 514/4885HDAC1 2077/4885

“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.