SCHEMBL19863136

SCHEMBL19863136

c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6ccccc6n6c7ccccc7c4c56)c4ccccc34)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL19863142 0.95 ESR1 (0.36) GSTP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23775682 0.92 GSTP1 (0.32) GSTP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23775774 0.91 HSD17B1 (0.31) GSTP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22707556 0.90 PIM1 (0.33) GSTP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22707997 0.87 ALOX5 (0.33) CYP1A2TSHRHIF1AALOX5
SCHEMBL23776013 0.86 HSD17B1 (0.32) HSD17B1HSD17B2CYP1A2CYP2D6CYP2C9
SCHEMBL22708010 0.84 HDAC4 (0.35) GSTP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20857791 0.84 GSTP1 (0.39) GSTP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863140 0.83 HSD17B1 (0.39) GSTP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23775773 0.82 HSD17B1 (0.31) HSD17B1HSD17B2CYP1A2CYP2D6CYP2C9

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-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-20210277026-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-09-09 US disclosed
US-20210257550-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-08-19 US disclosed
WO-2020138963-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-07-02 WO disclosed
WO-2019172647-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-12 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 GSTP1 4155/4885TUBB4A 3467/4885TUBB 3478/4885
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 GSTP1 2495/4885TUBB4A 3436/4885TUBB 4133/4885
US-20210257550-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CCNL2, CYBA, CYC1 GSTP1 2802/4885TUBB4A 738/4885TUBB 434/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 GSTP1 2495/4885TUBB4A 3436/4885TUBB 4133/4885
US-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, HDHD5, HPD GSTP1 3887/4885TUBB4A 3847/4885TUBB 3786/4885
US-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CCNA1, CRY2 GSTP1 1760/4885TUBB4A 3661/4885TUBB 3837/4885
US-20210277026-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CCNL2, CRY2, CRY1 GSTP1 1567/4885TUBB4A 1037/4885TUBB 1382/4885

“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.