SCHEMBL13328802

SCHEMBL13328802

C=CC[C@H](CO)CCCI

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL28349338 0.82 ABCC4 (0.35) ALDH1A1LMNA
SCHEMBL1568673 0.80 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL2028241 0.80 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL5831688 0.80 ALDH1A1 (0.58) ALDH1A1LMNA
SCHEMBL2027868 0.80 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL9732270 0.78 LMNA (0.35) ALDH1A1LMNA
SCHEMBL11093027 0.78 LMNA (0.61) ALDH1A1LMNA
SCHEMBL9284591 0.78
SCHEMBL2541103 0.78
SCHEMBL45005 0.77

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-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP ALDH1A1 2175/4885LMNA 1952/4885

“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.