SCHEMBL9946013

SCHEMBL9946013

CCCCOc1ccc(B(C)O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
LTA4H P09960 3/20 0.42
NR5A1 Q13285 1/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDIA6 Q15084 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 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
SCHEMBL539019 0.90 THRA (0.45) THRATHRBLTA4HNR5A1GAA
SCHEMBL29954557 0.90 THRA (0.45) THRATHRBLTA4HNR5A1GAA
SCHEMBL4048727 0.83 PTGS1 (0.46) THRATHRBLTA4HMEN1ALDH1A1
SCHEMBL29956792 0.83 PTGS1 (0.46) THRATHRBLTA4HMEN1ALDH1A1
SCHEMBL8405355 0.77 LTA4H (0.50) THRATHRBLTA4HNR5A1GAA
SCHEMBL11365687 0.76 DRD2 (0.57) THRATHRBLTA4HNR5A1RAB9A
SCHEMBL15945533 0.76 L3MBTL1 (0.46) LTA4HNR5A1GAARAB9AMEN1
SCHEMBL3790716 0.76 LTA4H (0.44) THRATHRBLTA4HNR5A1GAA
SCHEMBL29650460 0.76 LTA4H (0.44) THRATHRBLTA4HNR5A1GAA
SCHEMBL10801503 0.75 ESR1 (0.56) THRATHRBLTA4HNR5A1GAA

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 THRA 1584/4885THRB 898/4885LTA4H 1649/4885

“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.