SCHEMBL24065239

SCHEMBL24065239

COc1ccc(COCc2c[n+](O)c(C)c3c2COC(C)(C)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
APP P05067 2/20 0.31
MAOB P27338 1/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
TSHR P16473 1/20 0.30
SLC5A2 P31639 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
SCHEMBL2220041 0.87 ALDH1A1 (0.34) CA1CA2ALDH1A1MAPK1KMT2A
SCHEMBL2219213 0.78 ALDH1A1 (0.57) ALDH1A1MAPK1KMT2AGLANPSR1
SCHEMBL1503186 0.77 MAPK1 (0.41) CA1CA2ALDH1A1MAPK1KMT2A
SCHEMBL5666626 0.76 ALDH1A1 (0.36) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL1503248 0.73 ALDH1A1 (0.39) ALDH1A1MAPK1KMT2AHDAC4HDAC6
SCHEMBL2220510 0.73 UCHL1 (0.40) ALDH1A1MAPK1KMT2ASMN1; SMN2HPGD
SCHEMBL1503282 0.73 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2AHDAC4HDAC6
SCHEMBL1503084 0.72 SMPD1 (0.39) ALDH1A1MAPK1KMT2AHDAC4HDAC6
SCHEMBL34413 0.64 IDO1 (0.67) CA1CA2ALDH1A1HTTSMN1; SMN2
Potassium SCHEMBL1477050 0.62 IDO1 (0.64) CA1CA2ALDH1A1HTTSMN1; SMN2

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-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2021-12-02 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-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB CA1 2934/4885CA2 2129/4885ALDH1A1 568/4885

“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.