SCHEMBL21648147

SCHEMBL21648147

CCOC(=O)C1=CC(=O)SC1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
FHIT P49789 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
CA12 O43570 3/20 0.37

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
SCHEMBL20322329 0.83 KDM4E (0.43) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL9626894 0.67 TSHR (0.48) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL21652333 0.67 ACHE (0.31) GAA
SCHEMBL11796042 0.64 TSHR (0.45) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL16349333 0.64 LMNA (0.42) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL19726325 0.63 TLR4 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL17616383 0.63 CA12 (0.42) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL2345255 0.63 MAPT (0.45) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL16919019 0.62 ALDH1A1 (0.41) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL21648168 0.62

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-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
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

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 ALDH1A1 2831/4885HPGD 2205/4885GAA 3958/4885
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 ALDH1A1 3178/4885HPGD 833/4885GAA 4428/4885

“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.