SCHEMBL9945988

SCHEMBL9945988

CCCCOc1ccc(B(C)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
FAAH O00519 2/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL177383 0.89 THRA (0.44) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL29953148 0.89 THRA (0.44) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL16362051 0.85 RARB (0.44) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL9945922 0.85 KDM1A (0.45) FAAHSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL29950781 0.84 THRA (0.49) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL8220595 0.83 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL6657948 0.83 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL7789283 0.83 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL7514162 0.83 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL29737220 0.83 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2

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 898/4885S1PR1 1126/4885

“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.