SCHEMBL21736402

SCHEMBL21736402

c1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n3-c1nc2oc3ccccc3c2nc1-c1cccc2c3ccccc3c3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 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

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
SCHEMBL21736129 0.97 KDM4E (0.33) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21735888 0.94 KDM4E (0.33) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21736565 0.90 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21736202 0.88 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL20669829 0.87 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL23984385 0.86 KDM4E (0.31) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL20669800 0.86 ALDH1A1 (0.32) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21736013 0.85 SMN1; SMN2 (0.35) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21736540 0.85 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21736020 0.85 KDM4E (0.32) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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 ALDH1A1 14/4885HPGD 2603/4885CYP1A2 20/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 ALDH1A1 14/4885HPGD 2603/4885CYP1A2 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.