SCHEMBL6651971

SCHEMBL6651971

O=C(O)C(O)C(C(=O)O)C12CCCCC1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
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
SCHEMBL13706184 0.72 LMNA (0.33) TSHRLMNA
SCHEMBL28879164 0.72 LMNA (0.33) TSHRLMNA
SCHEMBL27763408 0.71 HSD17B10 (0.34) TSHRLMNA
SCHEMBL6650162 0.70 LMNA (0.33) TSHRLMNA
SCHEMBL5609089 0.69 HSD17B10 (0.33) TSHRLMNA
SCHEMBL27474770 0.69 HSD17B10 (0.33) TSHRLMNA
SCHEMBL3687003 0.67 ATP1A1 (0.34) TSHRLMNA
SCHEMBL5357561 0.67 ATP1A1 (0.34) TSHRLMNA
Cadaverine Tartrate SCHEMBL28304662 0.66 TSHR (0.53) TSHRNFKB1CYP2C19LMNA
SCHEMBL28784245 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132369-B1 Malic acid and oxalacetic acid derivatives DAICEL CHEM (JP) 2004-06-09 EP disclosed
US-6489504-B2 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20010056120-A1 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-27 US disclosed
EP-1132369-A1 Malic acid and oxalacetic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2001-09-12 EP 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-20010056120-A1 Malic acid and oxalacetic acid derivatives ME1, ME3, MLYCD TSHR 3998/4885NFKB1 1748/4885CYP2C19 1100/4885

“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.