SCHEMBL19743220

SCHEMBL19743220

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.41
▸ CYP11B1 P15538 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TRPM4 Q8TD43 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ UBE2I P63279 1/20 0.31
▸ SAE1 Q9UBE0 1/20 0.31

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
SCHEMBL23137620 0.90 PDK2 (0.40) PDK2CYP11B1ALDH1A1HPGDHSD17B10
SCHEMBL29407519 0.88 PDK2 (0.42) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL13367457 0.88 PDK2 (0.42) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL29926736 0.86 PDK2 (0.40) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL21796050 0.86 PDK2 (0.40) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25568648 0.86 PDK2 (0.40) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL31695395 0.85 PDK2 (0.41) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL23621143 0.85 PDK2 (0.41) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL30737911 0.85 PDK2 (0.50) PDK2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL10041508 0.85 PDK2 (0.50) PDK2ALDH1A1HPGDHSD17B10CYP3A4

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
EP-3339293-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 — — EP disclosed
US-10873035-B2 Heterocyclic compound and organic light emitting diode containing same LG CHEM, LTD. 2020-12-22 — — US disclosed
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-10-13 — — US disclosed
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 — — US disclosed
US-20200131112-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-04-30 — — US disclosed
US-10421721-B2 Heterocyclic compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2019-09-24 — — US disclosed
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 — — US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 — — US disclosed
US-20180123042-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-03 — — US disclosed
US-20180123042-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-03 — — US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 — — US disclosed
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-08 — — US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 — — 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 (10 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 PDK2 2535/4885CYP11B1 1588/4885ALDH1A1 87/4885
US-10800969-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 PDK2 2769/4885CYP11B1 1224/4885ALDH1A1 735/4885
US-20180123042-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME OR10J3, BMI1, ETV6 PDK2 2148/4885CYP11B1 1121/4885ALDH1A1 587/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 PDK2 2535/4885CYP11B1 1588/4885ALDH1A1 87/4885
US-10421721-B2 Heterocyclic compound and organic light emitting device comprising same CRY1, CRY2, PER2 PDK2 2326/4885CYP11B1 722/4885ALDH1A1 486/4885
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 PDK2 2326/4885CYP11B1 722/4885ALDH1A1 486/4885
US-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 PDK2 2374/4885CYP11B1 1324/4885ALDH1A1 854/4885
US-20200131112-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME AOX1, CYP1B1, CRY1 PDK2 2204/4885CYP11B1 96/4885ALDH1A1 10/4885
US-10873035-B2 Heterocyclic compound and organic light emitting diode containing same CRY1, CRY2, PER2 PDK2 1602/4885CYP11B1 488/4885ALDH1A1 270/4885
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 PDK2 888/4885CYP11B1 278/4885ALDH1A1 8/4885

“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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