SCHEMBL768937

SCHEMBL768937

CC(Cn1ccnc1)OC=O.CCCCCCCCCCCc1nccn1CCC#N.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
TBXAS1 P24557 7/20 0.34
CYP19A1 P11511 2/20 0.34
PLA2G4A P47712 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 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
SCHEMBL31484752 0.84 AGTR1 (0.43) PLA2G4AAGTR1AGTR2
SCHEMBL27839823 0.84 AGTR1 (0.43) PLA2G4AAGTR1AGTR2
SCHEMBL346574 0.84 AGTR1 (0.43) PLA2G4AAGTR1AGTR2
SCHEMBL217674 0.84 AGTR1 (0.43) PLA2G4AAGTR1AGTR2
SCHEMBL11033149 0.76 PLA2G2A (0.41) AGTR1AGTR2
SCHEMBL29147715 0.76 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL30438581 0.74 ALPG (0.44) AGTR1AGTR2
SCHEMBL29045399 0.74 ALPG (0.44) AGTR1AGTR2
SCHEMBL217673 0.71 ALDH1A1 (0.40) AGTR1AGTR2
SCHEMBL346573 0.71 ALDH1A1 (0.40) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062953-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2020-02-27 US disclosed
US-9006316-B2 Organometallic compositions and coating compositions KING INDUSTRIES, INC. (US) 2015-04-14 US disclosed
US-20120070569-A1 ORGANOMETALLIC COMPOSITIONS AND COATING COMPOSITIONS KING INDUSTRIES, INC. (US) 2012-03-22 US 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-20120070569-A1 ORGANOMETALLIC COMPOSITIONS AND COATING COMPOSITIONS UROD, AOC1, AOC2 HTT 3297/4885SMN1; SMN2 3485/4885MAPK1 4501/4885

“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.