SCHEMBL9945985

SCHEMBL9945985

CCCOc1c(Br)cc(C)cc1B(C)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 5/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL9946006 0.92 THRA (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3319730 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9945938 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL3315111 0.83 THRA (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9946066 0.78 THRA (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3318902 0.77 THRB (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL12440969 0.76 MAPT (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9946068 0.75 THRB (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9946069 0.74 THRA (0.49) THRATHRB
SCHEMBL23996067 0.73 HTR1A (0.40) ALDH1A1KMT2AMEN1KDM4EMAPT

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 ALDH1A1 4010/4885KMT2A 4328/4885MEN1 4590/4885

“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.