SCHEMBL3854259

SCHEMBL3854259

C=CCOC(=O)C(O)CO.OCC(CO)(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
OR51E2 Q9H255 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL170054 0.90 CYP3A4 (0.39) CYP3A4ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL9237824 0.90 CYP3A4 (0.39) CYP3A4ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL9657902 0.88 CYP3A4 (0.38) CYP3A4ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL291912 0.88 CYP3A4 (0.38) CYP3A4ALDH1A1SMN1; SMN2TDP1TSHR
Ethylene SCHEMBL9476623 0.86 CYP3A4 (0.37) CYP3A4ALDH1A1SMN1; SMN2TDP1TSHR
Alcohol SCHEMBL10342368 0.85 TSHR (0.42) CYP3A4ALDH1A1SMN1; SMN2TDP1TSHR
Ether SCHEMBL6862110 0.80 TDP1 (0.39) CYP3A4ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL9805270 0.76 CYP3A4 (0.45) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL20637054 0.76 OR51E2 (0.40) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
Bicarbonate SCHEMBL11045388 0.75 CYP3A4 (0.44) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916432-B2 Hair bleach composition and hair dye composition KAO CORPORATION (JP) 2005-07-12 US claimed
EP-1813254-B1 Hair bleach composition and hair dye composition KAO CORP (JP) 2009-08-26 EP disclosed
EP-1813254-A2 Hair bleach composition and hair dye composition Kao Corporation (JP) 2007-08-01 EP disclosed
EP-1219285-B1 Hair bleach composition and hair dye composition KAO CORP (JP) 2007-03-28 EP disclosed
US-6916432-B2 Hair bleach composition and hair dye composition KAO CORPORATION (JP) 2005-07-12 US disclosed
US-20020139957-A1 Hair bleach composition and hair dye composition KAO CORPORATION (JP) 2002-10-03 US disclosed
EP-1219285-A2 Hair bleach composition and hair dye composition Kao Corporation (JP) 2002-07-03 EP 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-20020139957-A1 Hair bleach composition and hair dye composition OR10J3, LBR, POLL CYP3A4 3693/4885ALDH1A1 302/4885TP53 1450/4885

“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.