SCHEMBL5042727

SCHEMBL5042727

COc1ccc(COCC(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 2/20 0.51
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ELANE P08246 1/20 0.49
CTSG P08311 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ABCB1 P08183 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
MAOB P27338 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PPARA Q07869 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL5122876 0.85 MTNR1A (0.57) HDAC8MTNR1AMTNR1BKDM4EPOLB
SCHEMBL5779644 0.82 MAOB (0.57) HDAC8MTNR1AMTNR1BKDM4ETDP1
SCHEMBL6034576 0.81 MAOB (0.55) HDAC8MTNR1AMTNR1BMAPTELANE
SCHEMBL20954700 0.81 MTNR1A (0.58) HDAC8MTNR1AMTNR1BKDM4EPOLB
SCHEMBL27563776 0.79 MAOB (0.57) HDAC8MTNR1AMTNR1BTDP1ABCB1
SCHEMBL28451865 0.79 HDAC8 (0.55) HDAC8MTNR1AMTNR1BKDM4EPOLB
SCHEMBL31550547 0.78 HDAC8 (0.60) HDAC8MTNR1AMTNR1BKDM4EPOLB
SCHEMBL6404086 0.78 HDAC8 (0.60) HDAC8MTNR1AMTNR1BKDM4EPOLB
SCHEMBL3712815 0.78 MAOB (0.55) HDAC8MTNR1AMTNR1BABCB1HTR1A
SCHEMBL27469507 0.78 MAOB (0.55) HDAC8MTNR1AMTNR1BMAPTTDP1

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 HDAC8 2454/4885MTNR1A 27/4885MTNR1B 52/4885

“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.