SCHEMBL3288664

SCHEMBL3288664

NC1CCCCC1C(=O)N1CCc2ccc(C(=O)O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.49
KEAP1 Q14145 1/20 0.45
MYC P01106 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NAMPT P43490 1/20 0.43
SYK P43405 6/20 0.41
ENPP2 Q13822 1/20 0.40
KDM1A O60341 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39

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
SCHEMBL3287771 0.81 HDAC6 (0.54) HDAC6KEAP1MYCALDH1A1SYK
SCHEMBL3287643 0.78 MYC (0.44) HDAC6KEAP1MYCALDH1A1NAMPT
SCHEMBL4431726 0.78 HDAC6 (0.77) HDAC6KEAP1ALDH1A1NAMPTENPP2
SCHEMBL28052395 0.76 MYC (0.56) HDAC6MYCALDH1A1
SCHEMBL3287872 0.75 F11 (0.53) HDAC6KEAP1MYCALDH1A1NAMPT
SCHEMBL3287773 0.74 HDAC6 (0.53) HDAC6KEAP1MYCALDH1A1ENPP2
SCHEMBL1026202 0.74 NOTUM (0.61) HDAC6MYCALDH1A1NAMPT
SCHEMBL3281075 0.73 HDAC6 (0.51) HDAC6KEAP1MYCALDH1A1NAMPT
SCHEMBL17560248 0.73 PRMT5 (0.57) HDAC6MYCALDH1A1NAMPTKDM1A
SCHEMBL3282606 0.71 MYC (0.47) HDAC6MYCALDH1A1KDM1A

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 74/4885MYC 4493/4885

“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.