SCHEMBL12848890

SCHEMBL12848890

COc1cc(-c2cn3c(C)cccc3n2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 4/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 5/20 0.47
GAA P10253 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL12797322 0.89 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12848908 0.88 HRH3 (0.47) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6388711 0.82 RAB9A (0.74) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12848495 0.81 RAB9A (0.70) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6875244 0.80 HRH3 (0.62) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12848935 0.79 ALDH1A3 (0.58) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12112554 0.79 TSHR (0.49) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL9284193 0.78 RAB9A (0.74) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12848993 0.77 RAB9A (0.55) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12848496 0.77 RAB9A (0.71) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1

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

“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.