SCHEMBL18354471

SCHEMBL18354471

CCOC(=O)[C@H](CCOC(=O)CC)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.50
CTSK P43235 6/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 4/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL18360423 0.89 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL18354703 0.85 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL18354478 0.84 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14483921 0.83 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL29508434 0.83 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL13560958 0.83 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721298 0.82 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721300 0.82 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7308713 0.82 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL29399499 0.82 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SEIKAGAKU CORPORATION (JP) 2017-01-05 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-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SAT1, ACMSD, ADM2 CYP1A2 3928/4885CYP2C9 2588/4885CYP2C19 3401/4885

“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.