SCHEMBL14788874

SCHEMBL14788874

CCOC(=O)CCC(NC(=O)OC(C)(C)C)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CTSK P43235 6/20 0.47
CTSS P25774 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL14788877 1.00 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2721300 0.90 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL14777839 0.90 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2721298 0.90 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL14777840 0.90 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL5916340 0.88 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL20473230 0.88 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL718684 0.88 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL22382062 0.88 CTSK (0.48) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL19396315 0.86 CTSK (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8784774-B2 Labeled molecular imaging agents and methods of use GENERAL ELECTRIC COMPANY (US) 2014-07-22 US disclosed
US-20130071332-A1 LABELED MOLECULAR IMAGING AGENTS AND METHODS OF USE GENERAL ELECTRIC COMPANY (US) 2013-03-21 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-20130071332-A1 LABELED MOLECULAR IMAGING AGENTS AND METHODS OF USE SLC7A11, GLS, SLC3A2 CYP1A2 4843/4885CYP2C9 4800/4885CYP2C19 4851/4885

“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.