SCHEMBL18650986

SCHEMBL18650986

CCOC(=O)CN(CC)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ MGAM O43451 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ NLRP3 Q96P20 2/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL3563819 0.81 TSHR (0.39) CA12CA9GAAMGAMSI
SCHEMBL11265878 0.78 CA12 (0.48) CA12CA1CA2CA9GAA
SCHEMBL14241237 0.78 CA12 (0.39) CA12CA1CA2CA9GAA
SCHEMBL1911479 0.77 CA12 (0.52) CA12CA1CA2CA9GAA
SCHEMBL29155871 0.75 GAA (0.44) CA12CA1CA2CA9GAA
SCHEMBL2039269 0.75 CA12 (0.46) CA12CA1CA2CA9GAA
SCHEMBL20780368 0.75 JAK2 (0.35) CA12CA1CA2CA9GAA
SCHEMBL22222415 0.75 JAK2 (0.35) CA12CA1CA2CA9GAA
SCHEMBL708934 0.73 CA12 (0.57) CA12CA1CA2CA9GAA
SCHEMBL264830 0.73 CA12 (0.57) CA12CA1CA2CA9GAA

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-20170079897-A1 COMPOSITION FOR HAIR APPLICATION AND METHODS OF HAIR CARE MINUS MATTHEW BRISSETTE (US) 2017-03-23 — — US disclosed
US-20170079897-A1 COMPOSITION FOR HAIR APPLICATION AND METHODS OF HAIR CARE MINUS MATTHEW BRISSETTE (US) 2017-03-23 — — 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-20170079897-A1 COMPOSITION FOR HAIR APPLICATION AND METHODS OF HAIR CARE NACA, CUTA, KRT18 CA12 861/4885CA1 1728/4885CA2 2232/4885

“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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