SCHEMBL1901320

SCHEMBL1901320

COCCn1cnc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 5/20 0.40
USP2 O75604 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 5/20 0.40
TP53 P04637 4/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
TNK2 Q07912 3/20 0.38
KDR P35968 3/20 0.38
EGFR P00533 3/20 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
SCHEMBL1900913 0.91 AKT1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1902566 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1904896 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL14118733 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL14118794 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL12677080 0.85 AKT1 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1902833 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1908186 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1904495 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL14118955 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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 (1 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 4803/4885KDM4E 2856/4885HPGD 3200/4885

“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.