SCHEMBL14565995

SCHEMBL14565995

CCCCC(CC)COC(=O)CCCCCCCCCCOc1ccc(SC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ ATM Q13315 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ ALOX5 P09917 3/20 0.43
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ PTGES O14684 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ PLA2G4B P0C869 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ P2RY10 O00398 2/20 0.41

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
SCHEMBL13612297 0.87 CYP3A4 (0.64) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL14566052 0.87 CYP3A4 (0.64) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL13933079 0.86 CYP3A4 (0.63) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL14566004 0.86 CYP3A4 (0.56) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL14565992 0.84 DGKA (0.54) TSHRPRSS1PRSS2PRSS3PLA2G4B
SCHEMBL13933036 0.84 CYP3A4 (0.60) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL13933056 0.83 TSHR (0.59) CYP3A4TDP1TSHRATMALDH1A1
Dibutyl Sebacate SCHEMBL1507836 0.82 TSHR (0.84) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL9215920 0.82 TSHR (0.84) CYP3A4TDP1TSHRATMALDH1A1
Dibutyl Sebacate SCHEMBL6110391 0.82 TSHR (0.84) CYP3A4TDP1TSHRATMALDH1A1

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 CYP3A4 3624/4885TDP1 3356/4885TSHR 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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