SCHEMBL20155899

SCHEMBL20155899

BC(c1ccc(C)cc1C(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 1/20 0.32
HSPA5 P11021 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL7933889 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL9355749 0.78 TRPA1 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL31439401 0.78 TRPA1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14211932 0.76 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR
Hydrogen Peroxide SCHEMBL8659528 0.74 TRPA1 (0.53) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11436387 0.69 TRPA1 (0.47) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17594923 0.69 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL9860912 0.69 TSHR (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL20155769 0.68 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3166363 0.68 ALDH1A1 (0.48) 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.