SCHEMBL4766772

SCHEMBL4766772

C=CCOC(=O)C(CC=C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 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
SCHEMBL19105301 0.87 TSHR (0.42) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL3607061 0.84 ALDH1A1 (0.39) TSHRTDP1ALDH1A1HSD17B10GAA
SCHEMBL11393698 0.84 TSHR (0.42) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL20954020 0.83 TSHR (0.40) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL11668021 0.83 TSHR (0.39) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL7975200 0.82 TSHR (0.41) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL4773694 0.82 ALDH1A1 (0.37) TSHRCYP3A4MAPTALDH1A1
SCHEMBL5227219 0.82 TSHR (0.32) TSHRCYP3A4MAPT
SCHEMBL32679948 0.81 TSHR (0.43) TSHRTDP1CYP3A4MAPTCACNA1B
Acetic Acid SCHEMBL28822001 0.81 MMP8 (0.37) TSHRTDP1ALDH1A1HSD17B10

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-1613606-A4 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMA INC (US) 2008-12-03 EP claimed
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones NPS PHARMACUETICALS, INC (US) 2007-07-12 US claimed
EP-1613606-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2006-01-11 EP claimed
WO-2004092121-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2004-10-28 WO 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-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones TYMP, DPYD, DHFR TSHR 3414/4885TDP1 637/4885CYP3A4 139/4885

“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.