SCHEMBL17841962

SCHEMBL17841962

Clc1cccc2ccc3c4ccccc4ccc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ THRB P10828 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ HPRT1 P00492 3/20 0.58
▸ CYP2A6 P11509 4/20 0.58
▸ ERBB2 P04626 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ AHR P35869 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PMP22 Q01453 1/20 0.48

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
SCHEMBL2849271 1.00 CYP1A2 (0.60) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL3787526 0.89 CYP1A2 (0.65) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL5615235 0.89 CYP1A2 (0.52) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL3710185 0.85 CYP2A6 (0.73) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL476875 0.85 CYP2A6 (0.73) CYP1A2ALDH1A1HSD17B10THRBHPGD
Benzo[E]Pyrene SCHEMBL9998154 0.84 HSD17B10 (0.84) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL2233815 0.84 HSD17B10 (0.75) CYP1A2ALDH1A1HSD17B10THRBHPGD
Chrysene SCHEMBL18546560 0.84 HSD17B10 (0.75) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL17841964 0.83 HPRT1 (0.58) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL22211948 0.83 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20220131083-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-04-28 — — 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

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-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, TMEM109 CYP1A2 12/4885ALDH1A1 28/4885HSD17B10 1208/4885
US-20220131083-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TELO2, TERT, LIMS1 CYP1A2 2899/4885ALDH1A1 275/4885HSD17B10 4286/4885

“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.

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