SCHEMBL8405355

SCHEMBL8405355

CCCCOc1cc(C)c(B(O)O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.50
NR5A1 Q13285 1/20 0.50
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL29954557 0.84 THRA (0.45) LTA4HNR5A1GAARAB9AMEN1
SCHEMBL16532784 0.84 MAPK1 (0.37) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL539019 0.84 THRA (0.45) LTA4HNR5A1GAARAB9AMEN1
SCHEMBL29952923 0.82 NQO1 (0.46) LTA4HMEN1NPC1ALDH1A1MAPT
SCHEMBL3631805 0.82 NCF1 (0.41) MEN1ALDH1A1KMT2ATHRA
SCHEMBL205849 0.81 MEN1 (0.40) LTA4HNR5A1GAARAB9AMEN1
SCHEMBL2722932 0.80 LTA4H (0.41) LTA4HNR5A1GAARAB9APLA2G2A
SCHEMBL25329446 0.79 ESR1 (0.56) LTA4HNR5A1GAARAB9AMEN1
SCHEMBL16532842 0.78 FFAR1 (0.46)
SCHEMBL9946013 0.77 THRA (0.43) LTA4HNR5A1GAARAB9AMEN1

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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 LTA4H 2624/4885NR5A1 167/4885GAA 526/4885

“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.