SCHEMBL14565992

SCHEMBL14565992

CCCCCCCCCCCCOC(=O)CCCCCCCCCCOc1ccc(SC)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PLA2G4B P0C869 5/20 0.52
▸ NR5A1 Q13285 1/20 0.50
▸ RARB P10826 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48

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
SCHEMBL7738104 0.85 NR5A1 (0.61) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL13712743 0.85 NR5A1 (0.61) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL14565995 0.84 CYP3A4 (0.60) TSHRPLA2G4BPRSS1PRSS2PRSS3
SCHEMBL13612295 0.84 DGKA (0.59) DGKATP53TSHRPLA2G4BNR5A1
SCHEMBL13933190 0.84 DGKA (0.59) DGKATP53TSHRPLA2G4BNR5A1
SCHEMBL14566051 0.84 DGKA (0.59) DGKATP53TSHRPLA2G4BNR5A1
SCHEMBL12768699 0.84 DGKA (0.59) DGKATP53TSHRPLA2G4BNR5A1
SCHEMBL17045895 0.84 HDAC1 (0.48) HTT
SCHEMBL14565991 0.84 HDAC1 (0.48) HTT
SCHEMBL13933078 0.83 NPC1 (0.60) DGKATP53TSHRPLA2G4BNR5A1

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-20070054814-A1 Lubricant composition, bearing apparatus, sliding member and triazine-ring compound FUJI PHOTO FILM CO., LTD. (JP) 2007-03-08 — — 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-20070054814-A1 Lubricant composition, bearing apparatus, sliding member and triazine-ring compound NR3C1, TYK2, GRIA4 DGKA 3036/4885TP53 4368/4885TSHR 454/4885

“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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