SCHEMBL4305847

SCHEMBL4305847

C=CCOC(=O)C(CO)(CO)C(=O)OCC=C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 3/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.31
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL11161035 0.90 CYP3A4 (0.36) CYP3A4ALDH1A1SMN1; SMN2TP53MAPK1
SCHEMBL28977828 0.82 CYP3A4 (0.39) CYP3A4ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL284263 0.80 TSHR (0.44) CYP3A4ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL2363793 0.78 CYP3A4 (0.37) CYP3A4ALDH1A1SMN1; SMN2TP53MAPK1
SCHEMBL782365 0.78 TSHR (0.39) CYP3A4ALDH1A1SMN1; SMN2TP53MAPK1
SCHEMBL8678916 0.78 TSHR (0.39) CYP3A4ALDH1A1SMN1; SMN2TP53MAPK1
SCHEMBL2825649 0.77 CYP3A4 (0.36) CYP3A4ALDH1A1SMN1; SMN2TP53MAPK1
SCHEMBL10556756 0.77 CYP3A4 (0.36) CYP3A4ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL22592255 0.76 MAPT (0.40) CYP3A4ALDH1A1SMN1; SMN2TP53MAPK1
SCHEMBL9695816 0.75 MEN1 (0.42) CYP3A4ALDH1A1SMN1; SMN2MAPK1TSHR

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
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA INC. (US) 2009-07-16 US disclosed
WO-2009086201-A1 2-5A ANALOGS AND THEIR USE AS ANTI-CANCER, ANTI-VIRAL AND ANTI- PARAS ITI C AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 WO disclosed
US-4394329-A PLASTICIZING, EXPLOSIVES, VASODILATION, 2-HYDROXYMETHYL-1,3-PROPANEDIOL NITRATION THIOKOL CORPORATION (US) 1983-07-19 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-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 CYP3A4 1782/4885ALDH1A1 1161/4885SMN1; SMN2 1589/4885

“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.