SCHEMBL23446347

SCHEMBL23446347

CC(C)(C)c1ccc(Nc2coc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ P2RY1 P47900 1/20 0.31
▸ ICMT O60725 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL23442562 0.74 AKR1C3 (0.35) MEN1KMT2AAKR1C3AKR1C2SLC2A1
SCHEMBL23452045 0.72 AKR1C3 (0.33) AKR1C3AKR1C2PTGIRRAB9ASLC2A1
SCHEMBL28871624 0.72 AKR1C3 (0.36) MEN1CYP1A2KMT2AAKR1C3AKR1C2
SCHEMBL25952642 0.72 ADRA2A (0.35) —
SCHEMBL29945233 0.71 CYP26A1 (0.36) MEN1KMT2AAKR1C3AKR1C2PTGIR
SCHEMBL23439027 0.69 CYP26A1 (0.46) MEN1KMT2AAKR1C3AKR1C2SLC2A1
SCHEMBL29945218 0.68 AKR1C3 (0.35) AKR1C3AKR1C2RAB9ASLC2A1P2RY1
SCHEMBL26410429 0.68 AKR1C3 (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL29945220 0.67 AKR1C3 (0.34) MEN1CYP1A2KMT2AAKR1C3AKR1C2
SCHEMBL23450954 0.66 AKR1C3 (0.40) MEN1KMT2AAKR1C3AKR1C2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230061019-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2023-03-02 — — US 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 (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-20230061019-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, LEF1 KDM4E 2345/4885MEN1 459/4885CYP1A2 47/4885

“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