SCHEMBL19863145

SCHEMBL19863145

c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6c7cccc8c9ccccc9n(c56)c87)c5ccccc45)cc3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 7/20 0.37
PPARA Q07869 7/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PPARD Q03181 1/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 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
SCHEMBL19863137 0.84 FLT3 (0.36) CA12CA1CA2CA9HDAC8
SCHEMBL26222089 0.82 MCL1 (0.36) CA12CA1CA2CA9HDAC8
SCHEMBL21453596 0.82 FLT3 (0.36) CA12CA1CA2CA9HDAC8
SCHEMBL25514033 0.81 NTSR1 (0.36) CA12CA1CA2CA9HDAC8
SCHEMBL22706904 0.81 KDM4E (0.35) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL22707157 0.79 KDM4E (0.36) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL3925327 0.79 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL24446252 0.79 CA12 (0.55) CA12CA1CA2CA9HDAC8
SCHEMBL21453589 0.79 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL22707553 0.77 KDM4E (0.35) KDM4EMEN1ALDH1A1POLBMAPT

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
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
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
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-20210257550-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CCNL2, CYBA, CYC1 CA12 1854/4885CA1 2776/4885CA2 1573/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 CA12 1870/4885CA1 2798/4885CA2 3840/4885
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.