SCHEMBL12435286

SCHEMBL12435286

CCC(C)(C)c1ccc(O)c(C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.57
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ESR1 P03372 8/20 0.43
ESR2 Q92731 5/20 0.43
AR P10275 3/20 0.43
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL51093 0.89 RORC (0.57) RORCCNR1CNR2NPC1LMNA
SCHEMBL11876501 0.88 RORC (0.75) RORCCNR1CNR2NPC1LMNA
SCHEMBL12424214 0.86 RORC (0.54) RORCCNR1CNR2NPC1LMNA
SCHEMBL2637888 0.86 RORC (0.57) RORCCNR1CNR2HSP90AA1HSP90AB1
SCHEMBL5523833 0.86 RORC (0.53) RORCCNR1CNR2NPC1LMNA
SCHEMBL9120887 0.84 RORC (0.56) RORCCNR1CNR2NPC1LMNA
SCHEMBL1344878 0.83 RORC (0.51) RORCCNR1CNR2NPC1LMNA
SCHEMBL9117896 0.83 RORC (0.59) RORCCNR1CNR2HSP90AA1HSP90AB1
SCHEMBL1344696 0.83 RORC (0.51) RORCCNR1CNR2NPC1LMNA
SCHEMBL1345305 0.83 RORC (0.51) RORCCNR1CNR2NPC1LMNA

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-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 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-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 RORC 4577/4885CNR1 4663/4885CNR2 4850/4885

“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.