SCHEMBL5000947

SCHEMBL5000947

NC(=O)C1=C(O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL16441855 0.70 ALDH1A1 (0.36) ALDH1A1TAAR1TSHRSMN1; SMN2
SCHEMBL25396410 0.70
SCHEMBL17372035 0.65 KMT2A (0.42) ALDH1A1SMN1; SMN2
SCHEMBL2028133 0.65
SCHEMBL18481885 0.64 KMT2A (0.38) SMN1; SMN2
SCHEMBL1268699 0.64 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL12475080 0.63 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2032274 0.63
SCHEMBL5628771 0.62 SMN1; SMN2 (0.50) ALDH1A1TAAR1SMN1; SMN2
SCHEMBL14215771 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416868-B2 Polyene polyketides, processes for their production and their use as a pharmaceutical THALLION PHARMACEUTICALS, INC. (CA) 2008-08-26 US disclosed
US-7375088-B2 Polyene polyketides, processes for their production and their use as a pharmaceutical THALLION PHARMACEUTICALS INC. (CA) 2008-05-20 US disclosed
US-20070275436-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical ECOPIA BIOSCIENCES, INC. 2007-11-29 US disclosed
EP-1585752-B1 POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL THALLION PHARMACEUTICALS INC (CA) 2007-11-21 EP disclosed
EP-1585752-A1 POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL Ecopia Biosciences Inc. (CA) 2005-10-19 EP disclosed
US-20050187167-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical ECOPIA BIOSCIENCES, INC. 2005-08-25 US disclosed
WO-2004065401-A1 POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL ECOPIA BIOSCIENCES INC. (CA) 2004-08-05 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 (2 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-20070275436-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical IPMK, PANK3, PANK1 ALDH1A1 4091/4885TAAR1 3701/4885TSHR 4148/4885
US-20050187167-A1 Polyene polyketides, processes for their production and their use as a pharmaceutical IPMK, PANK3, PANK1 ALDH1A1 4091/4885TAAR1 3701/4885TSHR 4148/4885

“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.