SCHEMBL10005437

SCHEMBL10005437

C=C1CSCC(OC(=O)CCCCCCCCC2CCC(CCCCC)C(CCCCCCC)C2CCCCCCCCC(=O)OC2CSCC(=C)CSC2)CSC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
PRKCA P17252 6/20 0.36
PTGER2 P43116 3/20 0.36
BCHE P06276 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL10005436 0.94 NAAA (0.45) NAAAPRKCAPTGER2BCHEALOX5
SCHEMBL10005441 0.94 NAAA (0.45) NAAAPRKCAPTGER2BCHEALOX5
SCHEMBL10005442 0.89 NAAA (0.38) NAAABCHE
SCHEMBL10005438 0.88 NAAA (0.39) NAAAPRKCAPTGER2BCHEALOX5
SCHEMBL10005435 0.86 DGKA (0.42) NAAAPRKCAPTGER2
SCHEMBL10005433 0.81 NAAA (0.32) NAAA
SCHEMBL10092013 0.80 NAAA (0.40) NAAAPRKCA
SCHEMBL18164186 0.74 PTGER2 (0.48) NAAAPRKCAPTGER2ALOX5
SCHEMBL17655757 0.74 PTGER2 (0.48) NAAAPRKCAPTGER2ALOX5
SCHEMBL12928612 0.73 NAAA (0.62) NAAAPRKCAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921450-B2 Dental materials based on dimer acid derivatives with ring opening polymerizable groups IVOCLAR VIVADENT AG (LI) 2014-12-30 US disclosed
US-20120010322-A1 Dental materials based on dimer acid derivatives with ring opening polymerizable groups IVOCLAR VIVADENT AG (LI) 2012-01-12 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-20120010322-A1 Dental materials based on dimer acid derivatives with ring opening polymerizable groups F12, CAD, HBG2 NAAA 1592/4885PRKCA 2582/4885PTGER2 75/4885

“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.