SCHEMBL1371273

SCHEMBL1371273

CCOC(=O)C(O[C]=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
PIN1 Q13526 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14617697 0.85 MMP8 (0.49) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL9790734 0.84 TSHR (0.47) NPC1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL9562207 0.83 NPC1 (0.51) NPC1SMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL712324 0.83 KMT2A (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL212215 0.82 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1LMNARECQL
SCHEMBL17653672 0.81 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL2312705 0.81 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL12951609 0.81 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL16672673 0.81 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL4599256 0.81 MMP8 (0.54) MMP8PIN1MEN1NPC1KMT2A

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-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 US disclosed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 EP disclosed
US-6207831-B1 A BENZOPYRAZOLE COMPOUND NOVARTIS AG (CH) 2001-03-27 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-20110288106-A1 ADENINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MMP8 4135/4885PIN1 3528/4885MEN1 4765/4885

“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.