SCHEMBL9945971

SCHEMBL9945971

CCCCOc1c(O)c(F)c(C(C)C)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
LTA4H P09960 2/20 0.34
NR5A1 Q13285 1/20 0.34
GSTA1 P08263 1/20 0.33
GSTP1 P09211 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
RXRA P19793 2/20 0.31
PPARG P37231 2/20 0.31
AKR1B1 P15121 2/20 0.31
RARG P13631 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TLR4 O00206 1/20 0.31

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
SCHEMBL5588409 0.79 LTA4H (0.40) ESR1LTA4HNR5A1THRATHRB
SCHEMBL28776893 0.78 THRA (0.34) ESR1LTA4HNR5A1THRATHRB
SCHEMBL9945932 0.77
SCHEMBL16687421 0.74 ESR1 (0.37) ESR1LTA4HNR5A1GSTA1GSTP1
SCHEMBL9504300 0.73 ESR1 (0.49) ESR1LTA4HNR5A1GSTA1GSTP1
SCHEMBL9683149 0.72 LTA4H (0.39) ESR1LTA4HNR5A1THRATHRB
SCHEMBL9945973 0.72 GRIN2D (0.36) THRATHRBRXRAPPARGRARG
SCHEMBL6235771 0.70 ESR1 (0.40) ESR1LTA4HNR5A1THRATHRB
SCHEMBL5590011 0.70 ESR1 (0.50) ESR1THRATHRBRARARARB
SCHEMBL14268004 0.69 POLB (0.31)

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 ESR1 929/4885LTA4H 1649/4885NR5A1 1760/4885

“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.