SCHEMBL9946010

SCHEMBL9946010

CCCOc1c(C=O)cc(C=O)cc1B(C)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.35
ALDH1A1 P00352 9/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
FDPS P14324 1/20 0.33
HPGD P15428 3/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
TLR4 O00206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SRC P12931 2/20 0.30
LMNA P02545 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
SCHEMBL9893777 0.91 ERN1 (0.36) ERN1ALDH1A1CYP1A2CYP2C19FDPS
SCHEMBL9946012 0.76 SRC (0.45) ERN1ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL9945982 0.72 ERN1 (0.39) ERN1ALDH1A1FDPSHPGDMEN1
SCHEMBL9097669 0.71 FDPS (0.47) ALDH1A1FDPSHPGDHTTMEN1
SCHEMBL565487 0.69 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19FDPSHPGD
SCHEMBL28265531 0.69 ERN1 (0.41) ERN1ALDH1A1MEN1KMT2ATLR4
SCHEMBL15106618 0.69 SRC (0.44) ERN1ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL14988453 0.69 ALDH1A1 (0.49) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL7466433 0.68 FDPS (0.53) ERN1ALDH1A1CYP1A2CYP2C19FDPS
SCHEMBL9945915 0.68 ALDH1A1 (0.46) ERN1ALDH1A1HPGDHTTMAPT

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 2855/4885ALDH1A1 4010/4885CYP1A2 2891/4885

“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.