SCHEMBL23569435

SCHEMBL23569435

CC1(C)OB(c2cccc3cc(O)ccc23)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.39
ESR2 Q92731 7/20 0.39
TLR8 Q9NR97 1/20 0.39
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
NQO2 P16083 1/20 0.37
CYP1A2 P05177 1/20 0.36
IDH1 O75874 1/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
MCL1 Q07820 1/20 0.35
JAK2 O60674 1/20 0.34
BTK Q06187 1/20 0.34
SHBG P04278 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
SCHEMBL29478942 1.00 ESR1 (0.39) ESR1ESR2TLR8LPLLIPG
SCHEMBL29414003 0.83 NQO2 (0.46) LPLLIPGNQO2CYP1A2JAK2
SCHEMBL21459066 0.83 NQO2 (0.46) LPLLIPGNQO2CYP1A2JAK2
SCHEMBL23043114 0.83 CYP1A2 (0.49) LPLLIPGCYP1A2JAK2BTK
SCHEMBL30065387 0.81 LPL (0.42) LPLLIPGCYP1A2JAK2BTK
SCHEMBL26260588 0.81 EGFR (0.38) LPLLIPGJAK2BTK
SCHEMBL22555255 0.81 LPL (0.42) LPLLIPGCYP1A2JAK2BTK
SCHEMBL29586872 0.80 LPL (0.44) LPLLIPGCYP1A2JAK2BTK
SCHEMBL476862 0.80 LPL (0.44) LPLLIPGCYP1A2JAK2BTK
SCHEMBL23796054 0.80 PTPN1 (0.51) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed
US-20210193931-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-06-24 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-20210193931-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE TERT, ICOSLG, ELAVL1 ESR1 371/4885ESR2 1070/4885TLR8 3178/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC ESR1 2484/4885ESR2 1348/4885TLR8 4639/4885

“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.