SCHEMBL12848762

SCHEMBL12848762

COc1cc(-c2cn3ccccc3n2)ccc1OCc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.65
NPC1 O15118 12/20 0.65
ALDH1A1 P00352 12/20 0.65
SMN1; SMN2 Q16637 11/20 0.65
KDM4E B2RXH2 9/20 0.65
HPGD P15428 6/20 0.65
PKM P14618 5/20 0.65
MAPK1 P28482 3/20 0.65
HSD17B10 Q99714 3/20 0.65
TP53 P04637 2/20 0.65
TSHR P16473 2/20 0.65
MAPT P10636 8/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
EPHX2 P34913 1/20 0.49
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 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
SCHEMBL12848491 0.90 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6388711 0.90 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12797236 0.89 HRH3 (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848763 0.88 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848795 0.86 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848987 0.86 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9284193 0.85 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848933 0.85 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848499 0.85 NPC1 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848906 0.85 RAB9A (0.69) 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.