SCHEMBL712733

SCHEMBL712733

CCC1(C(C)C(=O)O)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL714512 0.87 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11814475 0.69
SCHEMBL15241474 0.68 TSHR (0.33) ALDH1A1
SCHEMBL16146939 0.66 ALDH1A1 (0.36) ALDH1A1
Acetic Acid SCHEMBL869816 0.64 FFAR3 (0.35) ALDH1A1
SCHEMBL14899030 0.64 MME (0.37)
SCHEMBL1172295 0.62 MME (0.36) ALDH1A1
SCHEMBL2160390 0.62 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3257641 0.61 TSHR (0.33) ALDH1A1
SCHEMBL21457833 0.60 TSHR (0.39) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 ALDH1A1 1028/4885

“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.