SCHEMBL16154153

SCHEMBL16154153

COc1c(CO)cccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
TNFRSF1A P19438 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CA1 P00915 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
SCHEMBL11884979 0.84 CA2 (0.41) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL25450879 0.83 GABRA1 (0.43) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL6565823 0.83 NR1H4 (0.38) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL12169370 0.82 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL129790 0.82 ALDH1A1 (0.46) CA2GABRA1GABRB2ALDH1A1MAPT
SCHEMBL6568787 0.82 ALOX5 (0.39) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL9695178 0.81 NR1H4 (0.38) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL16065587 0.81 NR1H4 (0.38) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL4677041 0.81 CA2 (0.38) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL7943125 0.80 ALDH1A1 (0.43) CA2NR1H4GABRA1GABRB2ALDH1A1

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-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 US disclosed
US-20140302069-A1 MODULATORS OF C3A RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-09 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-20140302069-A1 MODULATORS OF C3A RECEPTORS C3AR1, C5AR2, C5AR1 CA2 3364/4885NR1H4 1030/4885GABRA1 1139/4885

“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.