SCHEMBL4176525

SCHEMBL4176525

CC(O)(CNc1ccc(C(=O)NCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.56
MLYCD O95822 1/20 0.56
MMP13 P45452 1/20 0.53
CA2 P00918 1/20 0.52
POLB P06746 1/20 0.50
NAMPT P43490 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KIT P10721 1/20 0.46
MAPK14 Q16539 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4175392 0.81 ALDH1A1 (0.51) HDAC6SMN1; SMN2KMT2AALDH1A1EPHX1
SCHEMBL10722498 0.80 HDAC6 (0.77) HDAC6MLYCDMMP13CA2POLB
SCHEMBL4175397 0.80 HDAC6 (0.45) HDAC6MLYCDMMP13CA2POLB
SCHEMBL13483889 0.79 HDAC6 (0.68) HDAC6MLYCDMMP13CA2POLB
SCHEMBL17744944 0.78 MLYCD (0.62) HDAC6MLYCDMMP13CA2POLB
SCHEMBL9546986 0.76 MMP13 (0.84) HDAC6MLYCDMMP13CA2POLB
Methyl Alcohol SCHEMBL11518093 0.76 SMN1; SMN2 (0.72) HDAC6MLYCDMMP13CA2POLB
SCHEMBL25123079 0.75 SMN1; SMN2 (0.76) HDAC6MLYCDMMP13CA2POLB
SCHEMBL4522241 0.75 SMN1; SMN2 (0.76) HDAC6MLYCDMMP13CA2POLB
SCHEMBL8395225 0.75 SMN1; SMN2 (0.76) HDAC6MLYCDMMP13CA2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA HDAC6 1367/4885MLYCD 3086/4885MMP13 3163/4885

“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.