SCHEMBL4245288

SCHEMBL4245288

O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.51
HDAC3 O15379 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MITF O75030 1/20 0.40
KLF5 Q13887 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4246914 0.86 MAPT (0.43) HPGDMAPTRAB9AMEN1KMT2A
SCHEMBL4244100 0.84 RXFP1 (0.47) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL4237397 0.84 MAPT (0.46) KLF5ALDH1A1MAPTRAB9AMEN1
SCHEMBL4237487 0.83 DEGS1 (0.50) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL4241902 0.83 DEGS1 (0.50) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL4243191 0.83 DEGS1 (0.50) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL4246968 0.83 EPHX1 (0.48) ALDH1A1HPGDMAPTRAB9AMEN1
SCHEMBL4250686 0.82 KMT2A (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4246135 0.81 ALDH1A1 (0.52) HDAC8HDAC6ALDH1A1MAPTRAB9A
SCHEMBL13597914 0.81 DEGS1 (0.52) DEGS1HDAC3HDAC11HDAC8HDAC6

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 DEGS1 496/4885HDAC3 3582/4885HDAC11 3050/4885

“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.