Sugi Predict

Sugi Predict / Compounds / SCHEMBL20102237

SCHEMBL20102237

SCHEMBL20102237

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ PPARG P37231 7/20 0.33
▸ PPARA Q07869 7/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL20102223 0.99 CA12 (0.35) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL23224978 0.96 CHRNB4 (0.34) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL23447761 0.96 CHRNB4 (0.34) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL20102222 0.95 CYP11B1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL21392412 0.95 CYP11B1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23239391 0.95 CA12 (0.37) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL26060380 0.94 MCL1 (0.33) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL23448803 0.94 CA12 (0.38) ENPP3ENPP1CA12CA1CA2
SCHEMBL25089633 0.94 ENPP1 (0.34) MCL1ACMSDENPP3ENPP1CA12
SCHEMBL24221729 0.94 CYP11B1 (0.34) ALDH1A1HPGDTSHRMAPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3972001-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2023-06-21 — — EP disclosed
WO-2023085878-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-05-19 — — WO disclosed
WO-2023014190-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-02-09 — — WO disclosed
US-20230002420-A1 ORGANIC LIGHT-EMITTING ELEMENT LG CHEM, LTD. (KR) 2023-01-05 — — US disclosed
EP-3972001-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2022-03-23 — — EP disclosed
WO-2021182893-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-09-16 — — WO disclosed
WO-2021107737-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2021-06-03 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20230002420-A1 ORGANIC LIGHT-EMITTING ELEMENT CYBA, CRY1, CYP1A1 MCL1 553/4885ACMSD 2419/4885ENPP3 4002/4885
US-20180123042-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME OR10J3, BMI1, ETV6 MCL1 1355/4885ACMSD 1902/4885ENPP3 695/4885

“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.