SCHEMBL1646758

SCHEMBL1646758

COC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 3/20 0.54
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.49
EPHX2 P34913 1/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1647420 0.90 HSD17B10 (0.70) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL1647477 0.89 HSD17B10 (0.60) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL1647814 0.87 NPC1 (0.51) HSD17B10HPGDALDH1A1NPC1RAB9A
SCHEMBL10323492 0.81 HSD17B10 (0.47) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL1648477 0.80 SMN1; SMN2 (0.49) HSD17B10SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL6918135 0.80 MAPT (0.49) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL1647491 0.80 NPC1 (0.57) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL10322421 0.79 LRRK2 (0.65)
SCHEMBL1646608 0.79 HPGD (0.56) HSD17B10SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL17478796 0.79 KMT2A (0.54) HSD17B10HPGDALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 HSD17B10 3326/4885SMN1; SMN2 769/4885HPGD 3273/4885

“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.