SCHEMBL9946006

SCHEMBL9946006

CCCCOc1c(Br)cc(C)cc1B(C)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.46
THRB P10828 4/20 0.46
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MCL1 Q07820 1/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.38

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
SCHEMBL9945985 0.92 ALDH1A1 (0.40) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL3315111 0.91 THRA (0.48) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL3319730 0.83 ALDH1A1 (0.41) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL12833107 0.82 THRA (0.57) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL12440958 0.77 MAPT (0.59) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL9945984 0.77 THRA (0.40) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL9946066 0.77 THRA (0.51) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL9945938 0.76 ALDH1A1 (0.39) THRATHRBALDH1A1KMT2AMEN1
SCHEMBL3318902 0.76 THRB (0.44) THRBKDM4EALDH1A1KMT2AMEN1
SCHEMBL13429866 0.74 THRA (0.46) THRATHRBKDM4EALDH1A1KMT2A

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 898/4885KDM4E 4270/4885

“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.