SCHEMBL1435871

SCHEMBL1435871

COc1cc(OC)cc(-c2nc(CCO)c(C)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.46
PPARA Q07869 9/20 0.45
PPARG P37231 8/20 0.45
PPARD Q03181 2/20 0.45
MAPT P10636 3/20 0.43
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL12618058 0.86 ALDH1A1 (0.61) ALDH1A1HPGDTP53L3MBTL1KDM4E
SCHEMBL5759674 0.85 TARBP2 (0.54) ALDH1A1TP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL5025952 0.82 ALDH1A1 (0.48) ALDH1A1HPGDTP53NFKB1NFKB2
SCHEMBL3973849 0.82 ALDH1A1 (0.48) ALDH1A1HPGDTP53NFKB1NFKB2
SCHEMBL3530493 0.78 RAB9A (0.53) ALDH1A1HPGDTP53SMN1; SMN2HSD17B10
SCHEMBL5762128 0.77 PPARA (0.57) ALDH1A1TP53SMN1; SMN2HSD17B10KDM4E
SCHEMBL9411857 0.77 MAPT (0.38) ALDH1A1HPGDTP53SMN1; SMN2L3MBTL1
SCHEMBL3532628 0.77 KDM1A (0.57) ALDH1A1HPGDKDM4EPPARAPPARG
SCHEMBL28295550 0.75 PPARA (0.46) ALDH1A1TP53KDM4EPPARAPPARG
SCHEMBL4885518 0.75 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
CN-1713907-B N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE 2010-05-26 CN disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
CN-1713907-A N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE (CH) 2005-12-28 CN disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 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 (3 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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 233/4885HPGD 2181/4885TP53 4661/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 ALDH1A1 133/4885HPGD 2329/4885TP53 4814/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 ALDH1A1 233/4885HPGD 2181/4885TP53 4661/4885

“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.