SCHEMBL13745573

SCHEMBL13745573

CCOc1ccc(NC(=O)CCC(=O)OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
ALDH1A1 P00352 4/20 0.74
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
POLB P06746 2/20 0.71
GAA P10253 2/20 0.65
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 3/20 0.64
MAPK1 P28482 1/20 0.64
KDM4E B2RXH2 1/20 0.64
TSHR P16473 2/20 0.62
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
THRB P10828 1/20 0.57

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
SCHEMBL7824567 0.86 HTT (0.75) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL9842944 0.85 POLB (0.77) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL13746214 0.84 HTT (0.73) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL9312707 0.83 POLB (1.00) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL8986265 0.83 POLB (0.73) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL11247219 0.83 POLB (0.73) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL12445438 0.82 POLB (0.83) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL12310179 0.81 POLB (0.71) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL25086 0.80 POLB (0.80) HTTALDH1A1MEN1KMT2APOLB
Fenacetinol SCHEMBL2850567 0.80 POLB (0.80) HTTALDH1A1MEN1KMT2APOLB

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-9771331-B2 Methods of identifying neuroprotective compounds for retinal ganglion cells THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-20090215765-A1 Neuroprotective compounds for treating optic neuropathies THE JOHNS HOPKINS UNIVERSITY (US) 2009-08-27 US disclosed
US-20090215765-A1 Neuroprotective compounds for treating optic neuropathies THE JOHNS HOPKINS UNIVERSITY (US) 2009-08-27 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-20090215765-A1 Neuroprotective compounds for treating optic neuropathies NLN, GAP43, AIFM1 HTT 250/4885ALDH1A1 1691/4885MEN1 3432/4885

“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.