SCHEMBL9105979

SCHEMBL9105979

COC(=O)C(CC1CCCC1)N1C(=O)C(=O)c2cc(C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GCK P35557 12/20 0.40
PDE5A O76074 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RCE1 Q9Y256 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL9107847 0.91 GCK (0.40) ALDH1A1GCK
SCHEMBL9109667 0.89 ALDH1A1 (0.43) ALDH1A1GCKPDE5AACHEMAPT
SCHEMBL9107290 0.88 CUL4A (0.43) ALDH1A1GCKACHE
SCHEMBL9105493 0.88 PARK7 (0.39) ALDH1A1GCKMAPTMEN1LMNA
SCHEMBL9102207 0.88 F11 (0.40) ALDH1A1GCK
SCHEMBL9109747 0.85 ALDH1A1 (0.46) ALDH1A1GCKMEN1KMT2A
SCHEMBL9104240 0.84 CHRM5 (0.45) ALDH1A1POLB
SCHEMBL9105799 0.82 GCK (0.36) ALDH1A1GCK
SCHEMBL9108781 0.82 F11 (0.38) GCKTP53
SCHEMBL9106688 0.82 GCK (0.36) ALDH1A1GCK

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 646/4885GCK 488/4885PDE5A 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.