SCHEMBL5872628

SCHEMBL5872628

CC(C)CCOC(=O)C(C)C(C)(C)O[C]=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP19A1 P11511 1/20 0.33
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL11004663 0.80 NAAA (0.41) ALDH1A1MAPK1LMNA
SCHEMBL766244 0.74 LMNA (0.33) CA12CA1CA2KMT2ALMNA
SCHEMBL11629491 0.74 TSHR (0.34)
SCHEMBL28791286 0.69 CHRNB2 (0.45) CA12CA1CA2CA9CYP19A1
SCHEMBL4672705 0.69 CHRNB2 (0.45) CA12CA1CA2CA9CYP19A1
SCHEMBL27558414 0.68 CA1 (0.41) CA12CA1CA2CA9CYP19A1
SCHEMBL1869451 0.68 CA1 (0.48) CA12CA1CA2CA9CYP19A1
SCHEMBL351059 0.68 CA1 (0.48) CA12CA1CA2CA9CYP19A1
SCHEMBL7947102 0.67 CA1 (0.43) CA12CA1CA2CA9CYP19A1
SCHEMBL2691885 0.67 CA12 (0.43) CA12CA1CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102019-B2 Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-RE39072-E1 2-aminopropane-1,3-diol compounds, medicinal use thereof, and intermediates in synthesizing the same MITSUBISHI PHARMA CORPORATION (JP) 2006-04-18 US disclosed
US-20020034527-A1 Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives STREICHER HARALD (DE) 2002-03-21 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-20020034527-A1 Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives PROC, ALDH16A1, RCN1 CA12 219/4885CA1 601/4885CA2 119/4885

“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.