SCHEMBL3287771

SCHEMBL3287771

NC1CCC(C(=O)N2CCc3ccc(C(=O)O)cc3C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.54
KEAP1 Q14145 1/20 0.50
SMYD3 Q9H7B4 2/20 0.47
MYC P01106 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.42
MCHR1 Q99705 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3287872 0.87 F11 (0.53) HDAC6KEAP1MYCALDH1A1MAPT
SCHEMBL3281075 0.84 HDAC6 (0.51) HDAC6KEAP1MYCALDH1A1MAPT
SCHEMBL4431726 0.82 HDAC6 (0.77) HDAC6KEAP1ALDH1A1MAPTPOLB
SCHEMBL3288664 0.81 HDAC6 (0.49) HDAC6KEAP1SMYD3MYCALDH1A1
SCHEMBL3287643 0.80 MYC (0.44) HDAC6KEAP1SMYD3MYCALDH1A1
SCHEMBL28052395 0.78 MYC (0.56) HDAC6MYCALDH1A1HPGDLMNA
SCHEMBL1081635 0.76 HDAC6 (0.84) HDAC6KEAP1ALDH1A1
SCHEMBL20733392 0.76 KEAP1 (0.57) HDAC6KEAP1ALDH1A1MAPTPOLB
SCHEMBL1026202 0.76 NOTUM (0.61) HDAC6MYCALDH1A1MCHR1
SCHEMBL1081728 0.75 HDAC6 (0.88) HDAC6KEAP1

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-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 HDAC6 2/4885KEAP1 74/4885SMYD3 699/4885

“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.