SCHEMBL21648155

SCHEMBL21648155

CCCCCC[C@@H]1CCC(=O)S1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
HLCS P50747 2/20 0.41
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 3/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
S1PR3 Q99500 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL19744233 0.98 CYP1A2 (0.43) CYP1A2HLCSEPHX1ALDH1A1FAAH
SCHEMBL17499947 0.88
SCHEMBL21648066 0.87 CYP1A2 (0.41) CYP1A2HLCSEPHX1ALDH1A1
SCHEMBL21648092 0.87 CYP1A2 (0.41) CYP1A2HLCSEPHX1ALDH1A1
SCHEMBL21648101 0.87 CYP1A2 (0.41) CYP1A2HLCSEPHX1ALDH1A1
SCHEMBL21648215 0.84
SCHEMBL13628802 0.76
SCHEMBL28369803 0.75 CYP1A2 (0.42) CYP1A2HLCSEPHX1ALDH1A1L3MBTL1
SCHEMBL8982121 0.74 HLCS (0.41) CYP1A2HLCSEPHX1ALDH1A1S1PR3
SCHEMBL21652336 0.73 NOS3 (0.35) CYP1A2

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-20200031796-A1 COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION L'OREAL (FR) 2020-01-30 US disclosed
US-20200030215-A1 AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION L'OREAL (FR) 2020-01-30 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-20200030215-A1 AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION KRT18, MUC1, MGMT CYP1A2 3649/4885HLCS 2941/4885EPHX1 3577/4885
US-20200031796-A1 COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION KRT18, KRTCAP2, MUC1 CYP1A2 3610/4885HLCS 3619/4885EPHX1 3353/4885

“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.