SCHEMBL3287643

SCHEMBL3287643

NC1C2CCC(C2)C1C(=O)N1CCc2ccc(C(=O)O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
HDAC6 Q9UBN7 5/20 0.43
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.39
NAMPT P43490 1/20 0.38
KDM1A O60341 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
PRSS1 P07477 1/20 0.37
TMPRSS15 P98073 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
AKR1C3 P42330 5/20 0.36

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 0.80 HDAC6 (0.54) MYCHDAC6ALDH1A1KEAP1SMYD3
SCHEMBL3288664 0.78 HDAC6 (0.49) MYCHDAC6ALDH1A1KEAP1NAMPT
SCHEMBL28052395 0.75 MYC (0.56) MYCHDAC6ALDH1A1AKR1C3
SCHEMBL3287872 0.74 F11 (0.53) MYCHDAC6ALDH1A1KEAP1NAMPT
SCHEMBL1026202 0.73 NOTUM (0.61) MYCHDAC6ALDH1A1NAMPTAKR1C3
SCHEMBL3281075 0.72 HDAC6 (0.51) MYCHDAC6ALDH1A1KEAP1NAMPT
SCHEMBL4431726 0.72 HDAC6 (0.77) HDAC6ALDH1A1KEAP1NAMPTPOLB
SCHEMBL17560248 0.72 PRMT5 (0.57) MYCHDAC6ALDH1A1NAMPTKDM1A
SCHEMBL14101079 0.70 ESR1 (0.70) MYCHDAC6ALDH1A1PRSS1TMPRSS15
SCHEMBL27812215 0.69 ALDH1A1 (0.65) MYCHDAC6ALDH1A1POLBMAPT

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 MYC 4493/4885HDAC6 2/4885ALDH1A1 681/4885

“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.