SCHEMBL10144005

SCHEMBL10144005

Cc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TP53 P04637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.53
POLB P06746 3/20 0.53

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
SCHEMBL16063220 0.81 NPC1 (0.65) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL11475652 0.80 SMN1; SMN2 (0.69) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL9923070 0.77 HPGD (0.65) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL5024598 0.76 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL740934 0.76 POLB (0.70) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL13659581 0.75 TP53 (0.62) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL6907487 0.75 L3MBTL1 (0.76) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL12783899 0.74 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL5742045 0.74 MEN1 (0.57) MAPTSMN1; SMN2HPGDKDM4ETP53
SCHEMBL17831066 0.73 LMNA (0.64) ALDH1A1MAPTSMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 ALDH1A1 2125/4885MAPT 2982/4885SMN1; SMN2 4780/4885

“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.