SCHEMBL16154154

SCHEMBL16154154

COc1cc(CC(C)(C)C)ccc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ESR1 P03372 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 1/20 0.40
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 1/20 0.38
MMP1 P03956 1/20 0.38
CYP3A4 P08684 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL19129460 0.84 GAA (0.42) ESR1TSHRMAPK1GAAMAPT
SCHEMBL20200250 0.83 PDCD1 (0.51) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL31280574 0.83 PDCD1 (0.51) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL465047 0.81 GABRA1 (0.49) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL31435368 0.80 PDCD1 (0.49) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL16231315 0.80 PDCD1 (0.49) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL74008 0.80 CA2 (0.63) CA2CYP19A1ALDH1A1CYP3A4
SCHEMBL25751730 0.80 ESR1 (0.48) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL19050972 0.79 APLNR (0.42) CD274TSHRMAPK1GAAMAPT
SCHEMBL1587262 0.79 PDCD1 (0.47) PDCD1CD274PDE4APDE4BPDE4C

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 PDCD1 3672/4885CD274 2793/4885PDE4A 2068/4885

“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.