SCHEMBL10484239

SCHEMBL10484239

Clc1cc2c3ccccc3ccc2c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.64
CYP2A6 P11509 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HIF1A Q16665 1/20 0.52
CYP1B1 Q16678 1/20 0.52
PAX8 Q06710 1/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
APEX1 P27695 1/20 0.52
MAPK1 P28482 1/20 0.52
PMP22 Q01453 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ERBB2 P04626 1/20 0.42

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
SCHEMBL27407869 0.86 HPRT1 (0.52) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
Methane SCHEMBL27684938 0.85 HPRT1 (0.50) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL476875 0.84 CYP2A6 (0.73) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL3710185 0.84 CYP2A6 (0.73) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL30494614 0.83 ALDH1A1 (0.55) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL1922076 0.83 ALDH1A1 (0.55) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL380419 0.82 HPRT1 (0.52) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
Hydrochloric Acid SCHEMBL8112381 0.82 CYP2A6 (0.70) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
Fluoride SCHEMBL28034452 0.80 CYP2A6 (0.67) HPRT1CYP2A6ALDH1A1HSD17B10TSHR
Chrysene SCHEMBL384031 0.80 HPRT1 (1.00) HPRT1CYP2A6ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300926-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-09-12 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
WO-2023003146-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003146-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-01-26 WO disclosed
US-4829090-A SECONDARY AMINES, ANTITUMOR BURROUGHS WELLCOME CO. (US) 1989-05-09 US disclosed
US-4810727-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1989-03-07 US disclosed
US-4719048-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed
US-4719046-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed
EP-0125702-B1 POLYCYCLIC AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1987-08-12 EP disclosed
EP-0125702-A2 Polycyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-21 EP 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-20240300926-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CYP1A1, AHR, CYP1B1 HPRT1 2255/4885CYP2A6 177/4885ALDH1A1 234/4885
US-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, TMEM109 HPRT1 251/4885CYP2A6 218/4885ALDH1A1 28/4885

“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.