SCHEMBL23917160

SCHEMBL23917160

c1ccc(-c2nc(-n3c(-c4ccccc4)nc4ccc5nc6ccccc6n5c43)cc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 4/20 0.42
POLB P06746 4/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ADORA2A P29274 2/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TYMS P04818 1/20 0.34
GAA P10253 1/20 0.34
PDE6D O43924 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
ADORA2B P29275 1/20 0.33

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
SCHEMBL23917158 0.76 KDM4E (0.45) HPGDALDH1A1KDM4EKMT2APOLB
SCHEMBL23917164 0.72 PTGER4 (0.45) HPGDALDH1A1KDM4EKMT2APOLB
SCHEMBL23917125 0.70 HPGD (0.48) HPGDALDH1A1KDM4EKMT2APOLB
SCHEMBL21364427 0.69 ALDH1A1 (0.47) HPGDALDH1A1KDM4EKMT2APOLB
SCHEMBL16436819 0.69 ESR1 (0.56) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL16436818 0.68 ESR1 (0.51) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL23917152 0.67 HSD17B10 (0.41) HPGDALDH1A1KDM4EKMT2APOLB
SCHEMBL18999329 0.65 ESR2 (0.58) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL23169736 0.65 ESR1 (0.54) HPGDALDH1A1KDM4EKMT2APOLB
SCHEMBL23169648 0.65 ESR1 (0.50) HPGDALDH1A1KDM4EKMT2APOLB

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM HPGD 1534/4885ALDH1A1 504/4885KDM4E 2132/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM HPGD 1534/4885ALDH1A1 504/4885KDM4E 2132/4885

“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.