SCHEMBL23442562

SCHEMBL23442562

CC(C)(C)c1ccc(Nc2coc3cc4c(cc23)C(C)(C)CCC4(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.35
▸ AKR1C2 P52895 2/20 0.35
▸ RARA P10276 2/20 0.35
▸ RARB P10826 2/20 0.35
▸ RARG P13631 2/20 0.35
▸ CYP26A1 O43174 4/20 0.34
▸ CYP26B1 Q9NR63 3/20 0.34
▸ FGFR2 P21802 3/20 0.33
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ BLVRB P30043 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ P2RY1 P47900 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
SCHEMBL23447040 0.88 OPRD1 (0.31) OPRD1
SCHEMBL26404888 0.80 PIN1 (0.34) RARARARBRARGRXRARXRB
SCHEMBL23450954 0.80 AKR1C3 (0.40) AKR1C3AKR1C2FGFR2SLC2A1MEN1
SCHEMBL30872231 0.80 AKR1C3 (0.40) AKR1C3AKR1C2FGFR2SLC2A1MEN1
SCHEMBL23439027 0.76 CYP26A1 (0.46) AKR1C3AKR1C2RARARARBRARG
SCHEMBL24689235 0.75 RXRA (0.38) RARARARBRARGCYP26A1CYP26B1
SCHEMBL23442436 0.75 AKR1C3 (0.35) AKR1C3AKR1C2RARARARBRARG
SCHEMBL30661311 0.75 RARA (0.38) RARARARBRARGCYP26A1CYP26B1
SCHEMBL22938032 0.75 RARA (0.38) RARARARBRARGCYP26A1CYP26B1
SCHEMBL26410429 0.75 AKR1C3 (0.39) AKR1C3AKR1C2RARARARBRARG

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
US-11685751-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2023-06-27 — — US disclosed
US-11685751-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2023-06-27 — — US disclosed
WO-2023072799-A1 BORONIC AND NITROGENOUS HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — WO disclosed
US-20230061019-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2023-03-02 — — US disclosed
WO-2021107699-A9 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-01-20 — — WO disclosed
EP-3907228-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2021-11-10 — — EP disclosed
WO-2021107359-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
WO-2021107694-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2021-06-03 — — WO disclosed
WO-2021107680-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO 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-20230061019-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, LEF1 AKR1C3 3498/4885AKR1C2 2980/4885RARA 369/4885
US-11685751-B2 Compound and organic light-emitting element comprising same CRY1, CRY2, LEF1 AKR1C3 3498/4885AKR1C2 2980/4885RARA 369/4885

“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.

Send feedback