SCHEMBL21213628

SCHEMBL21213628

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
NQO2 P16083 1/20 0.34
GSR P00390 2/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
TERT O14746 1/20 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
SCHEMBL21717054 0.93 PTGER4 (0.34) ESR1ESR2GSRTUBB4ATUBB
SCHEMBL21716201 0.93 PTGER4 (0.34) ESR1ESR2GSRTUBB4ATUBB
SCHEMBL21213367 0.92 ALDH1A1 (0.38) ESR1ESR2NQO2GSRTUBB4A
SCHEMBL21923539 0.91 ESR1 (0.39) ESR1ESR2NPY5RPOLBHSD17B10
SCHEMBL21213631 0.91 TUBB4A (0.37) ESR1ESR2NQO2GSRTUBB4A
SCHEMBL21213369 0.91 TUBB4A (0.41) ESR1ESR2NQO2GSRTUBB4A
SCHEMBL21716942 0.90 GSR (0.35) GSRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21717289 0.89 KDM4E (0.41) ESR1ESR2HPGDCASP1L3MBTL1
SCHEMBL21212911 0.89 KDM4E (0.43) ESR1ESR2GSRTERTHSD17B10
SCHEMBL21213632 0.88 ESR1 (0.42) ESR1ESR2TERTNPY5RPOLB

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 ESR1 424/4885ESR2 1690/4885NQO2 2385/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 ESR1 424/4885ESR2 1690/4885NQO2 2385/4885

“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.