SCHEMBL5833853

SCHEMBL5833853

COc1ccc(COC(=O)CCCCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.47
GSK3B P49841 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
FFAR1 O14842 1/20 0.46
HTT P42858 1/20 0.45
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL21677866 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL8959989 0.94 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL18381100 0.94 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL18381104 0.92 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL18782519 0.89 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL4205589 0.88 CNR1 (0.52) ALDH1A1L3MBTL1MAPK1
SCHEMBL5972139 0.88 FFAR1 (0.56) ALDH1A1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL4210164 0.88 CNR1 (0.52) ALDH1A1L3MBTL1MAPK1
SCHEMBL4214982 0.88 CNR1 (0.52) ALDH1A1L3MBTL1MAPK1
SCHEMBL4214279 0.88 CNR1 (0.52) ALDH1A1L3MBTL1MAPK1

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-7101912-B2 Carbidopa prodrugs and derivatives, and compositions and uses thereof XENOPORT, INC. (US) 2006-09-05 US disclosed
US-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof XIANG JIA-NING (US) 2004-08-26 US disclosed
WO-2004052841-A1 CARBIDOPA PRODRUGS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 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-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof PDE3A, ADORA2A, CDA ALDH1A1 606/4885KMT2A 1867/4885L3MBTL1 2983/4885

“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.