SCHEMBL12848795

SCHEMBL12848795

COc1cc(-c2cn3ccccc3n2)ccc1OCc1cc(F)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.65
NPC1 O15118 13/20 0.65
ALDH1A1 P00352 12/20 0.65
SMN1; SMN2 Q16637 12/20 0.65
KDM4E B2RXH2 8/20 0.65
HPGD P15428 5/20 0.65
PKM P14618 5/20 0.65
HSD17B10 Q99714 3/20 0.65
MAPK1 P28482 3/20 0.65
TSHR P16473 2/20 0.65
TP53 P04637 2/20 0.65
MAPT P10636 7/20 0.53
HTT P42858 2/20 0.53
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL12848933 0.93 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848765 0.92 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12797523 0.90 HRH3 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848589 0.89 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848491 0.88 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848597 0.87 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848762 0.86 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848987 0.86 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6526714 0.85 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848893 0.83 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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 RAB9A 3933/4885NPC1 366/4885ALDH1A1 332/4885
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES LPL, LIPC, LIPE RAB9A 3849/4885NPC1 334/4885ALDH1A1 419/4885

“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.