SCHEMBL3710185

SCHEMBL3710185

Clc1cccc2c1ccc1c3ccccc3ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.73
CYP1A2 P05177 5/20 0.73
HPRT1 P00492 3/20 0.67
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 1/20 0.57
PAX8 Q06710 1/20 0.54
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
APEX1 P27695 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
NR4A2 P43354 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL476875 1.00 CYP2A6 (0.73) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8112381 0.98 CYP2A6 (0.70) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
Fluoride SCHEMBL28034452 0.96 CYP2A6 (0.67) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
Phenanthrene SCHEMBL9753553 0.90 CYP2A6 (0.90) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL29351228 0.85 CYP2A6 (1.00) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL27987885 0.85 CYP2A6 (1.00) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL31310956 0.85 CYP2A6 (1.00) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL19854 0.85 CYP2A6 (1.00) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL30887598 0.85 CYP1A2 (0.64) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL22211948 0.85 CYP1A2 (0.64) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250127040-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2025-04-17 US disclosed
US-20240188424-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2024-06-06 US disclosed
US-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-01-25 US disclosed
US-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-01-25 US disclosed
EP-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 EP disclosed
US-20230263051-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-17 US disclosed
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 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 (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-20240188424-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, L1CAM, EPCAM CYP2A6 3404/4885CYP1A2 3961/4885HPRT1 827/4885
US-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, TMEM109 CYP2A6 218/4885CYP1A2 12/4885HPRT1 251/4885

“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.