SCHEMBL9945938

SCHEMBL9945938

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
POLB P06746 1/20 0.32
KLK1 P06870 1/20 0.30

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
SCHEMBL12260209 0.91 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9945985 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL16687424 0.83 THRA (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3313015 0.78 THRB (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL9946006 0.76 THRA (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL257830 0.76 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL12269067 0.76 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9945937 0.75 LMNA (0.32)
SCHEMBL13429874 0.74 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3319730 0.73 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD

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 4010/4885MEN1 4590/4885KMT2A 4328/4885

“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.