SCHEMBL2935528

SCHEMBL2935528

CCCCCCCCCCC1COc2c(C(=O)OCC)sc(C(=O)OCC)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
PPARG P37231 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL1141308 0.83 KMT2A (0.46) KMT2AHSD17B10GAACASP3ALDH1A1
SCHEMBL421448 0.79 GRM2 (0.33) GAAALDH1A1CYP1A2PPARGGRM2
SCHEMBL417860 0.79 GRM2 (0.33) GAAALDH1A1CYP1A2PPARGGRM2
SCHEMBL3283828 0.78 CASP3 (0.41) KMT2AHSD17B10GAACASP3ALDH1A1
SCHEMBL13515136 0.78 HTT (0.42) KMT2AHSD17B10GAACASP3ALDH1A1
SCHEMBL3284319 0.76 CASP3 (0.40) KMT2AHSD17B10GAACASP3ALDH1A1
SCHEMBL16812127 0.74 ALDH1A1 (0.46) ALDH1A1CYP1A2PPARGGRM2SIRT2
SCHEMBL419843 0.73 HTT (0.33)
SCHEMBL418271 0.73 HTT (0.33)
SCHEMBL6314895 0.72 KMT2A (0.49) KMT2AHSD17B10GAACASP3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461341-B1 PROCESS FOR PREPARING A HETEROAROMATIC COMPOUND SUBSTITUTED WITH ONE OR MORE ETHER GROUPS AGFA GEVAERT (BE) 2010-01-27 EP disclosed
US-6734312-B2 CONDENSING HYDROXY- GROUP OF A COMPOUND HAVING HETEROAROMATIC NUCLEUS, WITH AN ALCOHOL CONTAINING ONE OR MORE PRIMARY OR SECONDARY ALCOHOL GROUPS, OPTIONALLY USING THE REDOX COUPLE OF A TRIARYL- OR TRIALKYLPHOSPHINE AND AN AZODIOXO-COMPOUND AGFA-GEVAERT (BE) 2004-05-11 US disclosed
US-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents AGFA-GEVAERT (BE) 2003-08-28 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-20030162958-A1 Process for preparing a compound containing a heteroaromatic group with one or more ether substituents ADH1C, ADH1A, CYP2E1 KMT2A 1445/4885HSD17B10 93/4885GAA 4305/4885

“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.