SCHEMBL12466734

SCHEMBL12466734

C=C1OB(c2ccc(N3CCOCC3)nc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 7/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL13775467 0.90 MAPT (0.39) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL12314766 0.82 PIK3CA (0.42) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL142528 0.82 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL31212828 0.82 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL12314740 0.80 HRH3 (0.41) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL13441960 0.80 POLB (0.37) ALDH1A1HSD17B10KDM4ECYP1A2KMT2A
SCHEMBL12314770 0.78 SMN1; SMN2 (0.51) ALDH1A1HPGDCYP1A2MAPTSMN1; SMN2
SCHEMBL4252998 0.78 DDB1 (0.46) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL12313951 0.77 CNR2 (0.39) CNR2
SCHEMBL13034292 0.76 CYP2E1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 ALDH1A1 1701/4885HPGD 3425/4885HSD17B10 129/4885
US-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS PDE9A, PDE7A, PDE1A ALDH1A1 228/4885HPGD 226/4885HSD17B10 1619/4885

“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.