SCHEMBL30020344

SCHEMBL30020344

Clc1cccc2sc3c4ccccc4ccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.49
CYP1B1 Q16678 5/20 0.49
CYP1A2 P05177 6/20 0.48
CYP2A6 P11509 4/20 0.48
MCL1 Q07820 2/20 0.41
MAPK1 P28482 2/20 0.39
HPRT1 P00492 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NQO1 P15559 1/20 0.36
NQO2 P16083 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OGG1 O15527 1/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL24156132 1.00 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2CYP2A6MCL1
SCHEMBL24033965 0.90 CYP1A2 (0.46) CYP1A1CYP1B1CYP1A2CYP2A6MCL1
SCHEMBL13935881 0.84 CYP1B1 (0.46) CYP1A1CYP1B1CYP1A2CYP2A6MAPK1
SCHEMBL18905185 0.83 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2CYP2A6MCL1
SCHEMBL18810719 0.82 ALDH1A1 (0.52) CYP1A1CYP1B1CYP1A2CYP2A6MAPK1
SCHEMBL22019062 0.81 CYP1B1 (0.48) CYP1A1CYP1B1CYP1A2CYP2A6MAPK1
SCHEMBL24889877 0.81 CYP1A2 (0.42) CYP1A1CYP1B1CYP1A2CYP2A6MCL1
SCHEMBL24758926 0.81 CYP2A6 (0.50) CYP1A1CYP1B1CYP1A2CYP2A6MCL1
SCHEMBL23981335 0.81 CYP1A2 (0.50) CYP1A1CYP1B1CYP1A2CYP2A6MCL1
SCHEMBL22019938 0.80 CYP1A2 (0.54) CYP1A1CYP1B1CYP1A2CYP2A6MCL1

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-20240254099-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2024-08-01 US disclosed
WO-2022244983-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 엘티소재주식회사 2022-11-24 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-20240254099-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CYP1A1, CRY2 CYP1A1 2/4885CYP1B1 4/4885CYP1A2 6/4885

“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.