SCHEMBL5042730

SCHEMBL5042730

COc1ccc(C(OC)C(=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
MAOB P27338 1/20 0.48
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
LRRK2 Q5S007 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9862302 0.82 CA12 (0.46) NPC1GAAMAPTHTTNPSR1
SCHEMBL8680530 0.80 KDM4E (0.48) HDAC8MTNR1AMTNR1BMAOBKDM4E
SCHEMBL5045302 0.80 MRGPRX4 (0.48) MAOBNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL31550547 0.78 HDAC8 (0.60) HDAC8MTNR1AMTNR1BMAOBKDM4E
SCHEMBL6404086 0.78 HDAC8 (0.60) HDAC8MTNR1AMTNR1BMAOBKDM4E
SCHEMBL21436935 0.78 HDAC8 (0.51) HDAC8MTNR1AMTNR1BMAOBKDM4E
Hydrochloric Acid SCHEMBL31733321 0.77 MAOB (0.51) HDAC8MAOBGAASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL31733767 0.77 MAOB (0.51) HDAC8MAOBGAASMN1; SMN2MAPT
SCHEMBL6450099 0.77 MAOB (0.65) HDAC8MTNR1AMTNR1BMAOBKDM4E
SCHEMBL5037803 0.76 NPC1 (0.50) KDM4ENPC1RAB9APOLBMAPT

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.