SCHEMBL6348301

SCHEMBL6348301

COc1ccccc1NC(=O)C(C)O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
LPAR1 Q92633 1/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPT P10636 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ANPEP P15144 1/20 0.56

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
SCHEMBL13596172 0.88 POLB (0.62) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL27992024 0.85 ALDH1A1 (0.59) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL18638271 0.85 POLB (0.59) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL536527 0.85 POLB (0.59) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL4554983 0.83 POLB (0.77) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL31040567 0.83 POLB (0.77) POLBLPAR1ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL8974944 0.83 ALDH1A1 (0.60) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL13255726 0.83 POLB (0.62) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL8930775 0.83 POLB (0.58) POLBLPAR1ALDH1A1MAPTMEN1
SCHEMBL19974851 0.83 POLB (0.58) POLBLPAR1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO 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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB POLB 903/4885LPAR1 4301/4885ALDH1A1 15/4885

“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.