SCHEMBL21020447

SCHEMBL21020447

Cc1ccc(N(C)c2cccc3c2oc2c(F)cccc23)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL23967662 0.87 CYP1A2 (0.38) CYP1A2CYP2A6
SCHEMBL20172802 0.86 ACHE (0.37) CYP1A2CYP2A6NPC1RAB9A
SCHEMBL20650814 0.85 CYP1A2 (0.31) CYP1A2CYP2A6NPC1RAB9A
SCHEMBL21020293 0.83 NR1H2 (0.34)
SCHEMBL21021478 0.83 CYP1A2 (0.31) CYP1A2CYP2A6
SCHEMBL21020264 0.82 LMNA (0.39) NPC1RAB9A
SCHEMBL21020285 0.82 MEN1 (0.30) CYP1A2CYP2A6
SCHEMBL21021455 0.82 MEN1 (0.36) NPC1
SCHEMBL21020274 0.82 LMNA (0.33) CYP1A2CYP2A6
SCHEMBL20172817 0.81 NPC1 (0.34) NPC1RAB9A

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
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CYP1A2 563/4885CYP2A6 433/4885NPC1 1478/4885

“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.