SCHEMBL9946070

SCHEMBL9946070

CB(C)c1cc(C)cc(Br)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.46
THRA P10827 3/20 0.46
MAPT P10636 4/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
MAOB P27338 1/20 0.40
LIPE Q05469 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY1R P25929 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
SCHEMBL3317609 0.88 LIPE (0.50) THRBTHRAMAPTGAAHPGD
SCHEMBL1502370 0.86 THRB (0.58) THRBTHRAMAPTGAAHPGD
SCHEMBL12440971 0.81 MEN1 (0.55) THRBTHRAMAPTGAAHPGD
SCHEMBL13429977 0.79 THRB (0.48) THRBTHRAMAPTGAAHPGD
SCHEMBL9946066 0.78 THRA (0.51) THRBTHRAMAPTHPGDSMN1; SMN2
SCHEMBL13508902 0.78 THRB (0.47) THRBTHRAMAPTGAAHPGD
SCHEMBL12514358 0.78 THRA (0.50) THRBTHRAMAPTGAAHPGD
SCHEMBL19732195 0.78 MAPT (0.58) THRBTHRAMAPTGAASMN1; SMN2
SCHEMBL9946069 0.77 THRA (0.49) THRBTHRAMAOB
SCHEMBL5083962 0.77 THRB (0.46) THRBTHRAMAPTGAAHPGD

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 THRB 898/4885THRA 1584/4885MAPT 2718/4885

“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.