SCHEMBL9103541

SCHEMBL9103541

COC(=O)C(CC(C)C)N1C(=O)C(=O)c2cc(C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
ACHE P22303 2/20 0.46
PDE5A O76074 1/20 0.46
MAPT P10636 7/20 0.42
TP53 P04637 3/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
RCE1 Q9Y256 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL9108016 0.87 ALDH1A1 (0.53) ALDH1A1ACHEPDE5AMAPTTP53
SCHEMBL9108176 0.87 TP53 (0.48) ALDH1A1ACHEPDE5AMAPTTP53
SCHEMBL9108726 0.87 NPSR1 (0.42) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL9108081 0.87 CUL4A (0.47) ALDH1A1ACHEMAPTTP53
SCHEMBL9107681 0.84 MAPT (0.49) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL9107184 0.82 CHRM5 (0.49)
SCHEMBL9105979 0.81 ALDH1A1 (0.44) ALDH1A1ACHEPDE5AMAPTTP53
SCHEMBL9104273 0.81 NPSR1 (0.43) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL9107616 0.77 PARK7 (0.47) ALDH1A1ACHEPDE5AMAPTTP53
SCHEMBL9108285 0.77 GCK (0.46) ALDH1A1LMNAPOLB

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT ALDH1A1 646/4885ACHE 1278/4885PDE5A 2140/4885

“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.