SCHEMBL23944908

SCHEMBL23944908

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4cc(-c5cncc6oc7cc8ccccc8cc7c56)ccc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 1/20 0.35
MAPT P10636 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL24762144 0.98 CYP11B1 (0.36) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL24763007 0.94 ALDH1A1 (0.37) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL24762997 0.92 ALDH1A1 (0.37) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL23944173 0.91 ALDH1A1 (0.35) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL24762320 0.90 ALDH1A1 (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL24762187 0.90 KDM4E (0.41) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL23944373 0.90 KDM4E (0.41) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL24762990 0.90 CYP1A2 (0.37) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL23944559 0.89 KDM4E (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL24762132 0.88 CYP1A2 (0.38) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6

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-20220402928-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-12-22 US disclosed
WO-2021210910-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-10-21 WO 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-20220402928-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CCNL2, CRY1, CRY2 CYP11B1 546/4885CYP11B2 706/4885CYP1A2 241/4885

“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.