SCHEMBL9105740

SCHEMBL9105740

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALDH2 P05091 3/20 0.46
ALDH3A1 P30838 3/20 0.46
BCL2 P10415 3/20 0.41
BCL2L2 Q92843 3/20 0.41
MCL1 Q07820 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9105660 0.91 BCL2 (0.42) ALDH1A1ALDH2ALDH3A1BCL2BCL2L2
SCHEMBL9108726 0.88 NPSR1 (0.42) ALDH1A1ALDH2ALDH3A1SMN1; SMN2
SCHEMBL281661 0.86 ALDH3A1 (0.48) ALDH1A1ALDH2ALDH3A1
SCHEMBL9108016 0.85 ALDH1A1 (0.53) ALDH1A1BCL2BCL2L2MCL1SMN1; SMN2
SCHEMBL9108120 0.84 CUL4A (0.51) ALDH1A1ALDH2ALDH3A1BCL2BCL2L2
SCHEMBL2480595 0.83 ALDH3A1 (0.47) ALDH1A1ALDH2ALDH3A1
SCHEMBL21851967 0.83 ALDH1A1 (0.50) ALDH1A1BCL2BCL2L2SMN1; SMN2
SCHEMBL9109123 0.82 BCL2 (0.49) ALDH1A1BCL2BCL2L2MCL1
SCHEMBL9107616 0.82 PARK7 (0.47) ALDH1A1BCL2BCL2L2MCL1
SCHEMBL9103795 0.79 FFAR2 (0.46) ALDH1A1SMN1; 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US claimed
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 646/4885ALDH2 138/4885ALDH3A1 375/4885

“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.