SCHEMBL6412929

SCHEMBL6412929

CCCCCOc1ccc(-c2ccc(C(=O)CC(CCCc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.53
PTGES O14684 7/20 0.52
ALOX5 P09917 7/20 0.52
PPARG P37231 7/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PPARA Q07869 1/20 0.47
PLA2G4B P0C869 2/20 0.46
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7377067 1.00 RARB (0.53) RARBPTGESALOX5PPARGNPC1
SCHEMBL7372219 1.00 RARB (0.53) RARBPTGESALOX5PPARGNPC1
SCHEMBL6416023 0.99 RARB (0.55) RARBPTGESALOX5PPARGNPC1
SCHEMBL7376996 0.87 MMP12 (0.56) ALOX5RAB9APLA2G4BMAPTSMN1; SMN2
SCHEMBL7378044 0.87 MMP12 (0.56) ALOX5RAB9APLA2G4BMAPTSMN1; SMN2
SCHEMBL7376302 0.87 MMP12 (0.56) ALOX5RAB9APLA2G4BMAPTSMN1; SMN2
SCHEMBL8690347 0.87 PPARG (0.49) RARBPTGESALOX5PPARGNPC1
SCHEMBL6411354 0.84 TSHR (0.54) NPC1RAB9ATSHR
SCHEMBL7353605 0.82 PTGES (0.51) RARBPTGESALOX5PPARGNPC1
SCHEMBL8041180 0.81 PPARG (0.61) PTGESALOX5PPARGNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP claimed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO claimed
US-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP disclosed
US-6166082-A Substituted 5-biarylpentanoic acids and derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 2000-12-26 US disclosed
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP disclosed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 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-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 RARB 4370/4885PTGES 80/4885ALOX5 157/4885

“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.