SCHEMBL24312767

SCHEMBL24312767

Cc1cc2cc[nH]c2cc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ TLR8 Q9NR97 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ ESR2 Q92731 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ ADK P55263 1/20 0.41
▸ DHFR P00374 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MAP3K11 Q16584 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38

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
SCHEMBL14823128 0.93 NPC1 (0.53) NPC1TLR8TLR7ESR2GPR84
SCHEMBL27504681 0.85 NPC1 (0.60) NPC1TLR8TLR7GPR84TRPA1
SCHEMBL15811951 0.79 GPR84 (0.60) NPC1TLR8TLR7GPR84TRPA1
SCHEMBL827047 0.76 GPR84 (0.54) NPC1GPR84TRPA1CA1CA2
SCHEMBL9001654 0.75 NPC1 (0.49) NPC1TLR8TLR7GPR84TRPA1
SCHEMBL8957490 0.75 NPC1 (0.49) NPC1TLR8TLR7GPR84TRPA1
SCHEMBL14823134 0.74 CYP11B1 (0.53) NPC1TLR8TLR7MAOAMAOB
SCHEMBL14823127 0.73 PTGS2 (0.43) NPC1TLR8TLR7GPR84AHR
SCHEMBL4830408 0.73 ESR2 (0.60) ESR2DHFRADORA2AADORA1MAPK1
SCHEMBL2530865 0.73 GPR84 (0.67) NPC1GPR84TRPA1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081401-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2022-03-17 — — 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 (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-20220081401-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF AR, BRCA1, AHR NPC1 4393/4885TLR8 2720/4885TLR7 3123/4885

“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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