SCHEMBL19863140

SCHEMBL19863140

c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)c4ccccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 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
SCHEMBL21453597 0.91 HSD17B1 (0.39) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL21126571 0.90 HSD17B1 (0.38) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL23775774 0.88 HSD17B1 (0.31) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL21453592 0.87 HSD17B1 (0.43) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL19863137 0.86 FLT3 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20227502 0.85 KMT2A (0.43) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL21453591 0.85 HSD17B1 (0.45) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL15460075 0.84 HSD17B1 (0.47) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL22707557 0.83 HSD17B1 (0.36) HSD17B1HSD17B2TUBB4ATUBBTUBA3C
SCHEMBL19863136 0.83 GSTP1 (0.34) HSD17B1HSD17B2TUBB4ATUBBTUBA3C

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
WO-2022045825-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION 주식회사 엘지화학 2022-03-03 WO 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 (6 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 HSD17B1 157/4885HSD17B2 106/4885TUBB4A 3467/4885
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 HSD17B1 3049/4885HSD17B2 2174/4885TUBB4A 3436/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 HSD17B1 3049/4885HSD17B2 2174/4885TUBB4A 3436/4885
US-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, HDHD5, HPD HSD17B1 189/4885HSD17B2 122/4885TUBB4A 3847/4885
US-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CCNA1, CRY2 HSD17B1 987/4885HSD17B2 902/4885TUBB4A 3661/4885
US-20210277026-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CCNL2, CRY2, CRY1 HSD17B1 2813/4885HSD17B2 2537/4885TUBB4A 1037/4885

“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.