SCHEMBL6719959

SCHEMBL6719959

CCOC(=O)C(Nc1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 4/20 0.57
LTA4H P09960 2/20 0.55
NR1H4 Q96RI1 1/20 0.54
GPR55 Q9Y2T6 2/20 0.54
AR P10275 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
PPARG P37231 1/20 0.52

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
SCHEMBL5955251 0.88 LMNA (0.66) ALDH1A1LMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL5955247 0.88 LMNA (0.66) ALDH1A1LMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL5954468 0.87 ALDH1A1 (0.62) ALDH1A1LMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL5954359 0.85 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL30450762 0.83 HPGD (0.64) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL2960871 0.82 CA12 (0.62) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL6715971 0.82 PPARG (0.63) ALDH1A1LMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL17010274 0.82 L3MBTL1 (0.61) ALDH1A1LMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL9483448 0.81 RAB9A (0.76) ALDH1A1RAB9ASMN1; SMN2NPC1LTA4H
SCHEMBL2716599 0.79 LMNA (0.68) ALDH1A1LMNAL3MBTL1NR1H4

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-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases BRISTOL-MYERS SQUIBB COMPANY 2004-02-05 US disclosed
WO-2003091252-A1 SPIROBARBITURIC ACID DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-06 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-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases MMP13, MMP3, MMP1 ALDH1A1 374/4885LMNA 719/4885L3MBTL1 3666/4885

“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.