SCHEMBL9945982

SCHEMBL9945982

CCCOc1cc(C=O)cc(B(C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
FDPS P14324 1/20 0.33
ELANE P08246 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PLA2G2A P14555 1/20 0.33
PLK1 P53350 1/20 0.33
LTA4H P09960 1/20 0.33
TUBB4A P04350 1/20 0.32

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
SCHEMBL1300716 0.89 ERN1 (0.39) ERN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL17236433 0.82 SMN1; SMN2 (0.42) ERN1ALDH1A1MAPTHPGDLMNA
SCHEMBL273091 0.82 ALDH1A1 (0.44) ERN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL14316911 0.82 ALDH1A1 (0.44) ERN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL16687413 0.76 ALDH1A1 (0.41) ERN1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL9945908 0.76 KDM4E (0.43) ERN1ALDH1A1HPGDPTGS2RAB9A
SCHEMBL24993379 0.76 AHR (0.53) ERN1ALDH1A1MAPTHPGDLMNA
SCHEMBL9945981 0.75 ALDH1A3 (0.47) ERN1KMT2AALDH1A1
SCHEMBL3230270 0.74 KAT6A (0.40) ERN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11949127 0.74 ALDH1A1 (0.39) ERN1KMT2AMEN1ALDH1A1MAPT

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 ERN1 2855/4885KMT2A 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.