SCHEMBL8248301

SCHEMBL8248301

CC(=O)c1c2c(cc3c1CC(C)CC3)CCC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
HTT P42858 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL8250600 0.86 KMT2A (0.43) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL8249205 0.86 ALDH1A1 (0.40) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL8257070 0.84 MAPT (0.49) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL8254800 0.83 HPGD (0.39) KMT2AALDH1A1HPGDMAPTMEN1
SCHEMBL8257729 0.81 KMT2A (0.35) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL8257732 0.77 ALDH1A1 (0.40) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL8255983 0.71 MAPT (0.54) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL8254659 0.71 TNF (0.41) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL12511858 0.71 GAA (0.43) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL6862115 0.71 NLRP3 (0.44) KMT2AALDH1A1HPGDMEN1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 KMT2A 2290/4885ALDH1A1 1358/4885HPGD 1513/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 KMT2A 2290/4885ALDH1A1 1358/4885HPGD 1513/4885

“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.