SCHEMBL12848874

SCHEMBL12848874

COc1cc(-c2cn3cc(C(F)(F)F)ccc3n2)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
KDM4E B2RXH2 9/20 0.52
MAPT P10636 9/20 0.52
RAB9A P51151 8/20 0.52
HPGD P15428 7/20 0.52
NPC1 O15118 7/20 0.52
HSD17B10 Q99714 5/20 0.52
TP53 P04637 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
PKM P14618 2/20 0.52
MAPK1 P28482 2/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 6/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.51
RCE1 Q9Y256 1/20 0.51

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
SCHEMBL12797286 0.89 KDM4E (0.52) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL12848588 0.87 RAB9A (0.64) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL12848607 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL12848993 0.87 RAB9A (0.55) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL12848935 0.86 ALDH1A3 (0.58) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL12848495 0.86 RAB9A (0.70) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL12848594 0.85 RAB9A (0.55) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL12848496 0.85 RAB9A (0.71) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL15374909 0.83 RAB9A (0.60) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL6388711 0.83 RAB9A (0.74) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A

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 ALDH1A1 332/4885SMN1; SMN2 4449/4885KDM4E 1225/4885
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES LPL, LIPC, LIPE ALDH1A1 419/4885SMN1; SMN2 4508/4885KDM4E 1378/4885

“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.