SCHEMBL21474693

SCHEMBL21474693

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)c2oc3ccccc3c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHEK2 O96017 1/20 0.35
ALDH1A1 P00352 6/20 0.33
HPGD P15428 4/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 5/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CREBBP Q92793 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 3/20 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
SCHEMBL21474695 0.94 TSHR (0.33) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL21736092 0.93 TSHR (0.33) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL21736019 0.92 NPC1 (0.38) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20670243 0.90 KDM4E (0.36) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20670155 0.89 MAPT (0.38) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL21736016 0.89 MAPT (0.40) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20670029 0.89 NPC1 (0.34) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20670070 0.88 KDM4E (0.36) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL21736520 0.88 TSHR (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL23984332 0.87 NPC1 (0.32) NPC1RAB9ACYP1A2CYP2C9CYP2C19

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 4 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
EP-3553049-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2022-01-19 EP disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 US disclosed
EP-3553049-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2019-10-16 EP 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 NPC1 1021/4885RAB9A 2169/4885CYP1A2 20/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 NPC1 1021/4885RAB9A 2169/4885CYP1A2 20/4885

“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.