SCHEMBL19006417

SCHEMBL19006417

CCOC(=O)C(C)(C)n1cc(C)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
APP P05067 2/20 0.36
CYP1A2 P05177 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
PIN1 Q13526 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.34
MMP8 P22894 1/20 0.34
CNR2 P34972 2/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 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
SCHEMBL18999256 0.84 CYP4F2 (0.43) CYP4F2CYP4A11APPCYP1A2ABCB11
SCHEMBL19006343 0.76 ALDH1A1 (0.38) CYP4F2CYP4A11APPCYP1A2ABCB11
SCHEMBL16985332 0.73 CYP4F2 (0.45) CYP4F2CYP4A11CYP1A2ABCB11CYP3A4
SCHEMBL17122468 0.72 MAPK1 (0.39) CYP1A2TSHRMAPK1ALDH1A1LMNA
SCHEMBL17298865 0.71 CYP4F2 (0.46) CYP4F2CYP4A11CYP1A2ABCB11CYP3A4
SCHEMBL14149259 0.71 CYP4F2 (0.43) CYP4F2CYP4A11CYP1A2ABCB11CYP3A4
SCHEMBL16423620 0.71 CYP4F2 (0.43) CYP4F2CYP4A11APPCYP1A2ABCB11
SCHEMBL13412138 0.71 CYP4F2 (0.43) CYP4F2CYP4A11CYP1A2ABCB11CYP3A4
SCHEMBL29427420 0.71 ABCB11 (0.44) CYP4F2CYP4A11CYP1A2ABCB11CYP3A4
SCHEMBL4076690 0.71 CYP4F2 (0.43) CYP4F2CYP4A11CYP1A2ABCB11CYP3A4

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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A CYP4F2 1819/4885CYP4A11 515/4885APP 1709/4885

“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.