SCHEMBL4955335

SCHEMBL4955335

CC1(NC(=O)OC/C=C/c2ccccc2)C=CC=CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.41
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GSTA2 P09210 1/20 0.35
GSTP1 P09211 1/20 0.35
GSTM1 P09488 1/20 0.35

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
SCHEMBL9595632 0.71 MMP1 (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL11883042 0.71 MMP1 (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL10362771 0.68 EPHX1 (0.50) NPC1MEN1KMT2A
SCHEMBL14275000 0.68 MMP1 (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL9595626 0.68 MMP1 (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL14275010 0.68 MMP1 (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL9595631 0.68 MMP1 (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL1158019 0.66 MMP1 (0.51) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL1158016 0.66 MMP1 (0.51) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL12123424 0.66 MMP1 (0.54) CACNA1BMMP1MMP2MMP9MMP12

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-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 US disclosed
US-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-11-23 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-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SBDS, DRD2, GRIN2D CACNA1B 364/4885MMP1 4840/4885MMP2 4399/4885

“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.