SCHEMBL12848908

SCHEMBL12848908

COc1cc(-c2cn3c(C)cc(C)cc3n2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 5/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 5/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL12797575 0.89 HRH3 (0.48) HRH3ALDH1A1KDM4ERAB9AMAPT
SCHEMBL12848890 0.88 KDM4E (0.50) HRH3ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL6875244 0.83 HRH3 (0.62) HRH3ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL12848495 0.83 RAB9A (0.70) HRH3ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL12848935 0.81 ALDH1A3 (0.58) ALDH1A1KDM4EHSD17B10RAB9AMAPT
SCHEMBL6388711 0.79 RAB9A (0.74) HRH3ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL12848496 0.79 RAB9A (0.71) ALDH1A1KDM4EHSD17B10RAB9AMAPT
SCHEMBL12848993 0.79 RAB9A (0.55) HRH3ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL12848594 0.79 RAB9A (0.55) HRH3ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL12112554 0.78 TSHR (0.49) ALDH1A1KDM4EHSD17B10RAB9AMAPT

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 HRH3 2016/4885ALDH1A1 332/4885KDM4E 1225/4885
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES LPL, LIPC, LIPE HRH3 1936/4885ALDH1A1 419/4885KDM4E 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.