SCHEMBL13697404

SCHEMBL13697404

C[C@H]1CC(=O)OC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
AKR1C3 P42330 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13697409 1.00 SMN1; SMN2 (0.37) SMN1; SMN2CRBNALDH1A1LMNAAKR1C3
SCHEMBL10431444 1.00 SMN1; SMN2 (0.37) SMN1; SMN2CRBNALDH1A1LMNAAKR1C3
SCHEMBL983030 0.78 CA1 (0.40) SMN1; SMN2CRBNLMNATSHR
SCHEMBL14275649 0.76 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNACYP3A4CYP2C9
SCHEMBL12121152 0.75 PTPN11 (0.32) CRBN
SCHEMBL12183870 0.74 SMN1; SMN2 (0.31) SMN1; SMN2CRBN
SCHEMBL12183005 0.71 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL360858 0.70 GAA (0.35) SMN1; SMN2CRBNALDH1A1
SCHEMBL8974251 0.68 SMN1; SMN2 (0.42) SMN1; SMN2CRBNALDH1A1LMNACYP3A4
SCHEMBL13841505 0.67 CTRB1 (0.44) ALDH1A1TSHR

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-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 SMN1; SMN2 2266/4885CRBN 3436/4885ALDH1A1 2655/4885

“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.