SCHEMBL22087796

SCHEMBL22087796

c1ccc(-c2cc(-c3ccccc3)c(-c3cc4c5cc6ccccc6cc5n5c4c(c3)n3c4ccccc4nc35)c(-c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 5/20 0.36
ESR1 P03372 5/20 0.36
ESR2 Q92731 5/20 0.36
LMNA P02545 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 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
MAPK1 P28482 1/20 0.33
MDM2 Q00987 1/20 0.33
TYMS P04818 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL22087764 0.92 ESR1 (0.36) ESR1ESR2HSD17B10TP53
SCHEMBL22087795 0.92 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22088873 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22087348 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22088253 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22088890 0.89 ESR1 (0.45) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22088851 0.89 HPGD (0.39) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22088844 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22087794 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL22087797 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDESR1ESR2

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 2099/4885KDM4E 1043/4885HPGD 3497/4885

“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.