SCHEMBL21735866

SCHEMBL21735866

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3ccc4ccccc4c3c2)nc2sc3ccccc3c12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL20670114 0.92 ELANE (0.31) ELANE
SCHEMBL21736144 0.91 ELANE (0.32) ELANEALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL21736289 0.90 KDM4E (0.36) PTGES
SCHEMBL21735956 0.90 ALDH1A1 (0.32) ELANEALDH1A1
SCHEMBL21736063 0.89 KDM4E (0.33) ELANEALDH1A1HSD17B10
SCHEMBL21735862 0.89 HPGD (0.34) ELANEALDH1A1HSD17B10
SCHEMBL21735913 0.88 CHEK2 (0.35) ELANE
SCHEMBL21735988 0.88 KDM4E (0.36)
SCHEMBL20669845 0.88 ADORA2A (0.32) ELANEALDH1A1HSD17B10
SCHEMBL20670197 0.87

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 PTGES 1751/4885ELANE 4654/4885ALDH1A1 14/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PTGES 1751/4885ELANE 4654/4885ALDH1A1 14/4885

“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.