SCHEMBL6909041

SCHEMBL6909041

CC(=O)OC1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 13/20 0.38
NPC1 O15118 1/20 0.38
GAPDH P04406 1/20 0.37

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
SCHEMBL6910415 1.00 ALDH1A1 (0.44) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL22236587 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL6048089 0.84 TSHR (0.49) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL5202139 0.84 ALDH1A1 (0.46) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL14477070 0.84 ALDH1A1 (0.46) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL15634412 0.83 ALDH1A1 (0.43) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL15127529 0.83 ALDH1A1 (0.47) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL13151552 0.83 ALDH1A1 (0.47) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL15127199 0.83 ALDH1A1 (0.47) ALDH1A1TSHRPOLBMEN1USP2
SCHEMBL2785432 0.83 ALDH1A1 (0.47) ALDH1A1TSHRPOLBMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961775-B1 PURINE L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS (US) 2004-07-14 EP disclosed
US-6479463-B1 USED TO TREAT AN INFECTION, AN INFESTATION, A NEOPLASM, OR AN AUTOIMMUNE DISEASE OR TO MODULATE ASPECTS OF THE IMMUNE SYSTEM, INCLUDING MODULATION OF TH1 AND TH2 ICN PHARMACEUTICALS, INC. 2002-11-12 US disclosed
US-20020058635-A1 Purine L-nucleosides, analogs and uses thereof AVERETT DEVRON R (US) 2002-05-16 US disclosed
EP-0961775-A2 PURINE L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN Pharmaceuticals, Inc. (US) 1999-12-08 EP disclosed
WO-1998016184-A2 PURINE L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS, INC. (US) 1998-04-23 WO 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-20020058635-A1 Purine L-nucleosides, analogs and uses thereof PNP, NUDT1, TYMP ALDH1A1 1668/4885TSHR 2233/4885POLB 2249/4885

“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.