SCHEMBL9925797

SCHEMBL9925797

CC(=O)OC(OC(C)=O)(OC(C)=O)OC(=O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PLK1 P53350 2/20 0.40
PLK2 Q9NYY3 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL1782340 0.79 ADRB2 (0.48) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL28213904 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL13355960 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL277280 0.79 ADRB2 (0.48) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL127127 0.78 NPC1 (0.53) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL4659047 0.78 NPC1 (0.46) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL28215701 0.78 ADRB2 (0.47) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL2416629 0.77 NPC1 (0.49) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7628642 0.76 NPC1 (0.47) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL14944464 0.75 ADRB2 (0.44) NPC1RAB9AMEN1KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148521-A1 Methods and Compositions for Controlled Release of Drugs THE UNIVERSITY OF WYOMING 2012-06-14 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 (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-20120148521-A1 Methods and Compositions for Controlled Release of Drugs OPRK1, OPRM1, AANAT NPC1 4286/4885RAB9A 2398/4885MEN1 4569/4885

“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.