SCHEMBL2393549

SCHEMBL2393549

C#CCCCC#CC(O)CCCCC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.45
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL9626686 0.84 HMGCR (0.58) HMGCRGPR84
SCHEMBL6125719 0.82 HMGCR (0.51) HMGCRCYP3A4GPR84
SCHEMBL12003762 0.80 HMGCR (0.45) HMGCR
SCHEMBL2393546 0.79 HMGCR (0.38) HMGCRUSP2CYP3A4SMN1; SMN2GPR84
SCHEMBL736276 0.78 HMGCR (0.53) HMGCRCYP3A4SMN1; SMN2
SCHEMBL6137642 0.76 HMGCR (0.51) HMGCRGPR84
Acetic Acid SCHEMBL10540684 0.76 HMGCR (0.63) HMGCRGPR84
SCHEMBL6137648 0.76 HMGCR (0.51) HMGCRGPR84
SCHEMBL26421490 0.76 HMGCR (0.41) HMGCR
SCHEMBL10352754 0.76 HMGCR (0.45) HMGCRCYP3A4GPR84

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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof ACSL1, ACSL3, HACL2 HMGCR 500/4885USP2 3571/4885CYP3A4 2557/4885

“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.