SCHEMBL12427902

SCHEMBL12427902

COc1cccc(C(=O)Nc2ccc(OCCC(=O)O)cc2)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 4/20 0.60
TP53 P04637 3/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 3/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.49
HCRTR1 O43613 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL12427927 0.91 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL12427905 0.89 MAPT (0.73) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2282734 0.83 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2060717 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL27739490 0.81 RAB9A (0.76) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11311038 0.79 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2196772 0.78 MEN1 (0.69) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL19077957 0.76 MAPT (0.62) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL7083549 0.76 LMNA (0.62) MAPTPOLBHPGDKDM4ELMNA
SCHEMBL22833904 0.76 NPC1 (0.86) NPC1RAB9ASMN1; SMN2MAPTTP53

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-1246792-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2014-08-13 EP disclosed
US-7977506-B2 Amino acid for delivering active materials; bioavailability EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-12 US disclosed
US-7977506-B2 Amino acid for delivering active materials; bioavailability EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-12 US disclosed
US-20070087958-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-04-19 US disclosed
US-20070087958-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-04-19 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-20070087958-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 NPC1 52/4885RAB9A 2126/4885SMN1; SMN2 119/4885

“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.