SCHEMBL2809274

SCHEMBL2809274

O=C(NC1(C(=O)O)CCOC1)c1cncc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
HSD17B10 Q99714 3/20 0.48
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
ATM Q13315 1/20 0.40
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GPR132 Q9UNW8 3/20 0.35
CNR1 P21554 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CXCR2 P25025 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2809256 1.00 KDM4E (0.48) KDM4EHSD17B10POLBGAAALDH1A1
SCHEMBL2805627 0.87 KDM4E (0.45) KDM4EHSD17B10ALDH1A1CYP4F2CYP4A11
SCHEMBL185854 0.87 KDM4E (0.45) KDM4EHSD17B10ALDH1A1CYP4F2CYP4A11
SCHEMBL2787462 0.84 VNN1 (0.40) CYP4F2CYP4A11GPR132
SCHEMBL186662 0.84 VNN1 (0.40) CYP4F2CYP4A11GPR132
SCHEMBL185595 0.84 VNN1 (0.40) CYP4F2CYP4A11GPR132
SCHEMBL14856657 0.79 KDM4E (0.45) KDM4EHSD17B10POLBGAAALDH1A1
SCHEMBL2808923 0.78 CYP4F2 (0.40) CYP4F2CYP4A11GPR132
SCHEMBL2808925 0.78 CYP4F2 (0.40) CYP4F2CYP4A11GPR132
SCHEMBL10071817 0.77 NAMPT (0.39) CYP4F2CYP4A11

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KDM4E 4133/4885HSD17B10 2126/4885POLB 3203/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KDM4E 4133/4885HSD17B10 2126/4885POLB 3203/4885

“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.