SCHEMBL21212866

SCHEMBL21212866

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3oc4ccccc4c23)nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.35
CYP3A4 P08684 11/20 0.35
CYP2D6 P10635 10/20 0.35
CLK4 Q9HAZ1 6/20 0.35
USP2 O75604 6/20 0.35
TSHR P16473 5/20 0.35
CYP2C19 P33261 5/20 0.35
HSD17B10 Q99714 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2C9 P11712 1/20 0.35
CASP7 P55210 1/20 0.35
ABCB1 P08183 1/20 0.35
SMAD3 P84022 1/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL21717175 0.92 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL21924258 0.90 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL21213583 0.88 ALOX5 (0.37) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL21717451 0.88 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL21736486 0.87 SMN1; SMN2 (0.32) HSD17B10MEN1KMT2AALDH1A1MAPK1
SCHEMBL21736481 0.85 TSHR (0.39) CYP1A2USP2TSHRCYP2C19HSD17B10
SCHEMBL21213317 0.85 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL21213336 0.83 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL21213507 0.83 CYP1A2 (0.35) CYP1A2USP2MEN1KMT2AALDH1A1
SCHEMBL21212865 0.83 KDM4E (0.40) CYP1A2CYP3A4CYP2D6CLK4TSHR

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-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 US disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 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-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP3A4 CYP1A2 9/4885CYP3A4 3/4885CYP2D6 63/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 CYP1A2 9/4885CYP3A4 3/4885CYP2D6 63/4885

“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.