SCHEMBL20155769

SCHEMBL20155769

Bc1cc(C)cc(C(C)(C)C)c1C(B)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
HSPA5 P11021 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20155899 0.68 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7942358 0.67 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL31483671 0.64 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL27800581 0.63 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL27704633 0.63 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7047479 0.62 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL28034277 0.62 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11647740 0.62 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL434782 0.61 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL5857102 0.60 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR

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-20180134675-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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-20180134675-A1 MAGL INHIBITORS MAG, MAGI3, MGLL SMN1; SMN2 1770/4885ALDH1A1 4349/4885CA2 950/4885

“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.