SCHEMBL5403243

SCHEMBL5403243

COc1ccc2c(c1)C(=O)C(C)(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
METAP1 P53582 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ACHE P22303 1/20 0.43
PPIB P23284 1/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 4/20 0.42
BACE1 P56817 1/20 0.42
POLA1 P09884 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL27188918 0.88 SMN1; SMN2 (0.61) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL29597471 0.88 SMN1; SMN2 (0.61) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL27188923 0.87 SMN1; SMN2 (0.64) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL29596749 0.80 METAP1 (0.42) METAP1CA1CA2CA4CA7
SCHEMBL2351080 0.80 METAP1 (0.53) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL30176810 0.80 METAP1 (0.53) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL30834267 0.77 METAP1 (0.47) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL20584775 0.77 METAP1 (0.47) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL345330 0.76 SMN1; SMN2 (0.81) SMN1; SMN2METAP1CA1CA2CA4
SCHEMBL28608472 0.75 SMN1; SMN2 (0.50) SMN1; SMN2METAP1CA1CA2CA4

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-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 US disclosed
US-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY 2006-01-19 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-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts ALDH3A1, NQO1, DERA SMN1; SMN2 4277/4885METAP1 1441/4885CA1 1449/4885

“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.