SCHEMBL22955978

SCHEMBL22955978

c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6nccc7ccccc67)c5)c5ccccc45)c3)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
GLA P06280 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 1/20 0.48
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL18272707 0.94 KDM4E (0.51) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL22955614 0.92 KDM4E (0.45) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL22956094 0.92 KDM4E (0.45) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL22955766 0.90 KDM4E (0.48) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL18858284 0.89 ESR1 (0.51) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL29607745 0.88 KDM4E (0.57) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL17449880 0.88 KDM4E (0.57) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL22955609 0.88 KDM4E (0.44) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL10300888 0.88 KDM4E (0.51) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL10300875 0.88 KDM4E (0.51) KDM4ENPC1RAB9AMAPTL3MBTL1

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 KDM4E 2264/4885NPC1 1793/4885RAB9A 1870/4885

“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.