SCHEMBL12848990

SCHEMBL12848990

COc1cc(-c2cn3ccc(C(=O)O)cc3n2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.49
TLR9 Q9NR96 2/20 0.49
TLR7 Q9NYK1 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL12797566 0.89 MRGPRX4 (0.56) HPGDALDH1A1SMN1; SMN2MAPK1PDE4A
SCHEMBL15374920 0.87 NPC1 (0.63) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL6875244 0.86 HRH3 (0.62) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL6388711 0.84 RAB9A (0.74) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL12848607 0.82 ALDH1A1 (0.53) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL15374917 0.82 RAB9A (0.53) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL15374910 0.81 ALDH1A1 (0.62) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL9284193 0.80 RAB9A (0.74) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL12848495 0.79 RAB9A (0.70) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL12848935 0.79 ALDH1A3 (0.58) NPC1RAB9AHPGDALDH1A1SMN1; SMN2

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-8895599-B2 Lipoprotein lipase-activating compositions comprising benzene derivates OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2014-11-25 US disclosed
US-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2013-11-07 US disclosed
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2011-03-17 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 (2 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-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES LPL, LIPC, LIPE NPC1 366/4885RAB9A 3933/4885HPGD 1821/4885
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES LPL, LIPC, LIPE NPC1 334/4885RAB9A 3849/4885HPGD 1354/4885

“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.