SCHEMBL23452045

SCHEMBL23452045

CC(C)(C)c1ccc(Nc2csc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ P2RY1 P47900 1/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ CSNK1G2 P78368 1/20 0.30

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
SCHEMBL30679844 0.89 AKR1C3 (0.33) AKR1C3AKR1C2PTGIRSLC2A1P2RY1
SCHEMBL23450928 0.84 AKR1C3 (0.34) AKR1C3AKR1C2PTGIRSLC2A1CCR4
SCHEMBL24442961 0.80 — —
SCHEMBL29203951 0.79 OPRD1 (0.34) AKR1C3AKR1C2PTGIR
SCHEMBL23447048 0.77 RAPGEF4 (0.37) AKR1C3AKR1C2RAB9ALMNAMAPT
SCHEMBL23442436 0.74 AKR1C3 (0.35) AKR1C3AKR1C2PTGIRSLC2A1P2RY1
SCHEMBL28871624 0.72 AKR1C3 (0.36) AKR1C3AKR1C2PTGIRSLC2A1P2RY1
SCHEMBL23446347 0.72 KDM4E (0.34) AKR1C3AKR1C2PTGIRSLC2A1P2RY1
SCHEMBL23451184 0.71 KIF11 (0.36) AKR1C3AKR1C2DHODHTRPV1CSNK1D
SCHEMBL23439027 0.69 CYP26A1 (0.46) AKR1C3AKR1C2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795497-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-04-26 — — CN disclosed
CN-113906580-B Organic light-emitting element 株式会社LG化学 2023-12-08 — — CN disclosed
US-20220263027-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-08-18 — — US disclosed
WO-2021107359-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE 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 (1 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-20220263027-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CYP1A1, AOX1, ARNT AKR1C3 286/4885AKR1C2 913/4885PTGIR 3076/4885

“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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