SCHEMBL6774005

SCHEMBL6774005

CC(C)C(C(=O)O)(C(C)C)[C@@](O)(C(=O)O)[C@](O)(C(=O)O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL7650942 1.00 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL607460 0.77 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL7846935 0.77 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL7837815 0.77 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL18838590 0.69 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL2244402 0.67 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL2246651 0.67 ALDH1A1 (0.41) ALDH1A1TSHR
Ether SCHEMBL31356991 0.65
SCHEMBL10895013 0.62 ACLY (0.48) ALDH1A1TSHR
SCHEMBL7650268 0.62 ACLY (0.48) ALDH1A1TSHR

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-6706899-B2 TETRAHYDRO-3-HYDROXY-5-OXO-2,3-FURANDICARBOXYLIC ACID (GARCINIA ACID) DERIVATIVES MADE BY REFLUXING GARCINIA ACID WITH ALCOHOLS USING AN ACID CATALYST; PHARMACEUTICAL APPLICATIONS DEPARTMENT OF SCIENCE AND TECHNOLOGY, TECHNOLOGY BHAVAN (IN) 2004-03-16 US claimed
US-20020042528-A1 Novel acyclic chiral compound from garcinia acid and process for preparing the same DEPARTMENT OF SCIENCE AND TECHNOLOGY, TECHNOLOGY BHAVAN (IN) 2002-04-11 US claimed

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-20020042528-A1 Novel acyclic chiral compound from garcinia acid and process for preparing the same GK, ADH1A, CNR1 ALDH1A1 166/4885TSHR 2327/4885

“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.