SCHEMBL3626496

SCHEMBL3626496

CCCCCCCCCCCCCCCCCCOCCC(N)OC(=O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CES2 O00748 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G2C Q5R387 2/20 0.39
USP2 O75604 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
NAAA Q02083 1/20 0.39
FAAH O00519 1/20 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
SCHEMBL28115952 0.85 SPHK1 (0.48) HTTCYP1A2CYP3A4MAPTSPHK1
SCHEMBL5596114 0.85 SPHK1 (0.48) HTTCYP1A2CYP3A4MAPTSPHK1
SCHEMBL10968809 0.85 SPHK1 (0.48) HTTCYP1A2CYP3A4MAPTSPHK1
SCHEMBL11769413 0.83 CES2 (0.49) HTTCES2CYP1A2CYP3A4CYP2C19
SCHEMBL5597178 0.83 CES2 (0.49) HTTCES2CYP1A2CYP3A4CYP2C19
SCHEMBL6003630 0.79 SPHK1 (0.47) HTTCES2CYP1A2CYP3A4CYP2C19
SCHEMBL4941100 0.78 METAP1 (0.35) CYP3A4MAPTSPHK1FAAH
SCHEMBL515374 0.78 FAAH (0.46) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL9116979 0.78 CES2 (0.51) HTTCES2CYP1A2MAPTMEN1
SCHEMBL787995 0.77 HTT (0.52) HTTCES2MAPTMEN1THRB

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-7854921-B2 Hair care product KAO CORPORATION (JP) 2010-12-21 US disclosed
US-20060165628-A1 Hair care product KAO CORPORATION (JP) 2006-07-27 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-20060165628-A1 Hair care product CUTA, POLR1C, PLK4 HTT 184/4885CES2 3868/4885CYP1A2 2959/4885

“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.