SCHEMBL19863141

SCHEMBL19863141

c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12700835 0.97 HSD17B1 (0.45) CA12CA1CA2CA9HSD17B1
SCHEMBL15763553 0.93 CA12 (0.46) CA12CA1CA2CA9HSD17B1
SCHEMBL18386145 0.88 HSD17B1 (0.47) CA12CA1CA2CA9HSD17B1
SCHEMBL12700833 0.87 CA12 (0.45) CA12CA1CA2CA9HSD17B1
SCHEMBL13656600 0.87 CA12 (0.46) CA12CA1CA2CA9HSD17B1
SCHEMBL13656592 0.87 CA12 (0.46) CA12CA1CA2CA9HSD17B1
SCHEMBL13656605 0.85 CA12 (0.45) CA12CA1CA2CA9HSD17B1
SCHEMBL13656618 0.85 CA12 (0.45) CA12CA1CA2CA9HSD17B1
SCHEMBL12700841 0.85 HSD17B1 (0.40) CA12CA1CA2CA9HSD17B1
SCHEMBL12700850 0.85 CYP1A2 (0.41) CA12CA1CA2CA9HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-09-14 US disclosed
US-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-09-14 US disclosed
US-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-08-31 US disclosed
US-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-08-31 US disclosed
EP-4177238-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION Lg Chem, Ltd. (KR) 2023-05-10 EP disclosed
US-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-12-08 US disclosed
US-20220017545-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2022-01-20 US disclosed
US-20210277026-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-09-09 US disclosed
WO-2020138963-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-07-02 WO disclosed
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-03-12 US disclosed
WO-2018117369-A1 ORGANIC LIGHT EMITTING ELEMENT 주식회사 엘지화학 2018-06-28 WO disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 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 (7 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-20230286882-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, PAH, HDHD5 CA12 1884/4885CA1 1562/4885CA2 2209/4885
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 CA12 1870/4885CA1 2798/4885CA2 3840/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 CA12 1870/4885CA1 2798/4885CA2 3840/4885
US-20220017545-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 CA12 3305/4885CA1 3916/4885CA2 4369/4885
US-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, HDHD5, HPD CA12 2271/4885CA1 2222/4885CA2 2879/4885
US-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CCNA1, CRY2 CA12 2147/4885CA1 2923/4885CA2 2981/4885
US-20210277026-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CCNL2, CRY2, CRY1 CA12 1488/4885CA1 1661/4885CA2 2144/4885

“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.