SCHEMBL22087797

SCHEMBL22087797

c1ccc(-c2ccc(-c3cc4c5cc6ccccc6cc5n5c4c(c3)n3c4ccccc4nc35)c(-c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
TYMS P04818 1/20 0.32
FLT3 P36888 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL22087794 1.00 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL22087769 0.93 ESR1 (0.33) TP53HSD17B10ESR1ESR2PIK3CA
SCHEMBL22087762 0.93 ESR1 (0.33) TP53HSD17B10ESR1ESR2PIK3CA
SCHEMBL22088851 0.92 HPGD (0.39) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL22088253 0.90 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL22088869 0.90 KDM4E (0.37) ALDH1A1HPGDKDM4EGAAMAPK1
SCHEMBL22088717 0.90 KDM4E (0.37) ALDH1A1HPGDKDM4EGAAMAPK1
SCHEMBL22087788 0.90 KDM4E (0.37) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL22088887 0.90 KDM4E (0.37) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL22088873 0.89 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EGAASMN1; SMN2

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-20200181160-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-06-11 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-20200181160-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE AHR, EMC2, NFE2L2 ALDH1A1 2099/4885HPGD 3497/4885KDM4E 1043/4885

“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.