SCHEMBL12201118

SCHEMBL12201118

COc1ccc(C(=O)OCCSSCCOC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ GAA P10253 1/20 0.52
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ ESR2 Q92731 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL14499884 0.83 NPC1 (0.61) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL20127259 0.82 CA1 (0.58) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11985689 0.82 MAPT (0.73) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16590828 0.79 MAPT (0.55) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL27824110 0.79 SMN1; SMN2 (0.64) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14947133 0.78 NPC1 (0.50) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16704815 0.78 MAPT (0.60) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL27881866 0.78 MAPT (0.60) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL20443618 0.78 ESR2 (0.77) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL206554 0.78 TDP1 (0.61) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 — — US disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 — — 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST NPC1 4859/4885MAPT 1485/4885RAB9A 4130/4885

“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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