SCHEMBL21736101

SCHEMBL21736101

c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n3-c1nc2c(nc1-c1cccc3c1oc1ccccc13)oc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRKDC P78527 5/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CDK2 P24941 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
SCHEMBL23983989 0.91 ALOX5 (0.34) ALOX5CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL21478672 0.90 TDP1 (0.33) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL21736567 0.88 ALOX5 (0.37) ALOX5CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL21736102 0.87 ALOX5 (0.31) ALOX5CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL21474705 0.86 ALOX5 (0.37) ALOX5CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL21736134 0.85 SIRT2 (0.32) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL20669943 0.85 ABCG2 (0.35) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL23983792 0.84 ALOX5 (0.32) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL24203335 0.83 ESR1 (0.36) CYP2C9CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL21736146 0.83

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 ALOX5 599/4885CYP1A2 20/4885CYP2C9 48/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 ALOX5 599/4885CYP1A2 20/4885CYP2C9 48/4885

“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.