SCHEMBL14944700

SCHEMBL14944700

CCC(CC)CCCC[C@H](NC(C)=O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
TSHR P16473 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC2 Q92769 1/20 0.36
PLA2G2A P14555 1/20 0.35
FOLH1 Q04609 1/20 0.35
BIRC2 Q13490 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8234349 0.89 TRPV1 (0.43) CA1CA2SIRT6SIRT1ZDHHC7
SCHEMBL8232200 0.86 ZDHHC7 (0.53) CA1CA2SIRT6SIRT1ZDHHC7
SCHEMBL19085541 0.86 ZDHHC7 (0.53) CA1CA2SIRT6SIRT1ZDHHC7
SCHEMBL17378386 0.85 GNPAT (0.42) CA1CA2SIRT6SIRT1ZDHHC7
SCHEMBL11042902 0.84 CA1 (0.53) CA1CA2SIRT6SIRT1ZDHHC7
SCHEMBL11128090 0.84 CA1 (0.53) CA1CA2SIRT6SIRT1ZDHHC7
SCHEMBL27883776 0.84 CA1 (0.53) CA1CA2SIRT6SIRT1ZDHHC7
SCHEMBL12088560 0.82 ALDH1A1 (0.44) SIRT6SIRT1ZDHHC7TAS1R3TAS1R1
SCHEMBL12064041 0.81 SMN1; SMN2 (0.45) CA1CA2TAS1R3TAS1R1TRPV1
SCHEMBL12064029 0.81 SMN1; SMN2 (0.45) CA1CA2TAS1R3TAS1R1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 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-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 CA1 452/4885CA2 393/4885SIRT6 1663/4885

“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.