SCHEMBL7864057

SCHEMBL7864057

COc1ccc(-c2ccc(C(=O)CCC(=O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.73
CYP1A2 P05177 2/20 0.67
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.67
HSD17B10 Q99714 1/20 0.67
RAB9A P51151 2/20 0.66
FFAR1 O14842 1/20 0.66
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HIF1A Q16665 1/20 0.66
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CYP3A4 P08684 1/20 0.63
NPC1 O15118 1/20 0.61
MMP1 P03956 1/20 0.61
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.58
HDAC8 Q9BY41 2/20 0.56
GSK3B P49841 1/20 0.56

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
SCHEMBL503582 0.95 PDE4B (0.80) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL4091233 0.90 PDE4B (0.73) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL3383272 0.89 PDE4B (0.82) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL16552644 0.87 MMP1 (0.76) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL6279662 0.86 MMP1 (0.61) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL10884944 0.85 SMN1; SMN2 (0.88) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL2413943 0.84 PDE4B (0.93) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL99448 0.84 PDE4B (1.00) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL4483889 0.84 NPC1 (0.77) PDE4BCYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL8347297 0.83 PDE4B (0.63) PDE4BCYP1A2ALDH1A1HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307089-B2 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-10-23 US disclosed
US-6239288-B1 RHEUMATIC DISEASES WARNER-LAMBERT COMPANY 2001-05-29 US disclosed
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-04-26 US disclosed
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed
US-4247466-A 5-(4'-HYDROXY-4-BIPHENYLYL)-DIHYDRO-2(3H)-FURANEONE; ANTIINFLAMMATORY AGENTS; ANTICOAGULANTS AMERICAN CYANAMID COMPANY (US) 1981-01-27 US disclosed
US-4219668-A ANTITHROMBOTIC AND ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1980-08-26 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-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP26, MMP1, MMP9 PDE4B 1128/4885CYP1A2 1694/4885ALDH1A1 573/4885

“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.