SCHEMBL21924902

SCHEMBL21924902

c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc3ccccc3nc2-c2cccc3sc4ccccc4c23)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.31
CYP1A2 P05177 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL21213126 0.90 CYP1A2 (0.34) CYP1A2
SCHEMBL21923537 0.86 ALDH1A1 (0.35) ESR1ESR2
SCHEMBL21923808 0.85 ALOX5 (0.36) PIM3
SCHEMBL21923695 0.85 PIK3CA (0.31) PIM3
SCHEMBL21454972 0.84 KDM4E (0.36) CYP1A2
SCHEMBL21716934 0.84 GSR (0.41) CYP1A2
SCHEMBL21924486 0.83 PDE10A (0.33) CYP1A2ESR1ESR2
SCHEMBL21716716 0.83 GSR (0.32) CYP1A2
SCHEMBL21923711 0.83 PIM3 (0.30) PIM3
SCHEMBL23783734 0.81 GSR (0.30)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-04-30 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 (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-20200136058-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP1A1 PIM3 2507/4885CYP1A2 9/4885ESR1 270/4885

“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.