SCHEMBL4245974

SCHEMBL4245974

O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NR3C1 P04150 2/20 0.41
MITF O75030 1/20 0.41
KLF5 Q13887 1/20 0.41
JAK3 P52333 2/20 0.40
KDR P35968 1/20 0.39
STAT3 P40763 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
NAMPT P43490 1/20 0.38
DGAT1 O75907 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL13744285 0.87 BUB1 (0.40) ALDH1A1
SCHEMBL13743831 0.86 FPR1 (0.41) DEGS1ALDH1A1
SCHEMBL4245920 0.86 MEN1 (0.43) ALDH1A1HPGD
SCHEMBL4238703 0.85 NPC1 (0.41) DEGS1MITFALDH1A1HPGD
SCHEMBL4243191 0.84 DEGS1 (0.50) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL4237487 0.84 DEGS1 (0.50) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL4241902 0.84 DEGS1 (0.50) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL13743458 0.84 DEGS1 (0.47) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL4244834 0.83 NPC1 (0.51) KLF5ALDH1A1
SCHEMBL4542615 0.83 DEGS1 (0.46) 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.