SCHEMBL6929596

SCHEMBL6929596

COc1ccc(OC)c(C(=O)Nc2ccc(C(=O)CCC(=O)O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.61
CYP2C9 P11712 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 5/20 0.54
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
HTT P42858 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL6932035 0.91 NPC1 (0.58) HDAC8CYP2C9RXFP1ALDH1A1CYP1A2
SCHEMBL6927623 0.86 HDAC8 (0.57) HDAC8CYP2C9RXFP1ALDH1A1POLB
SCHEMBL6927629 0.86 HDAC8 (0.57) HDAC8CYP2C9RXFP1ALDH1A1POLB
SCHEMBL2060592 0.84 NR1H4 (0.57) HDAC8CYP2C9RXFP1ALDH1A1CYP1A2
SCHEMBL6924409 0.84 MAPT (0.70) CYP2C9ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL6926777 0.83 NPC1 (0.71) CYP2C9ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL6931937 0.83 MEN1 (0.66) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5656946 0.82 NR1H4 (0.55) HDAC8CYP2C9RXFP1ALDH1A1CYP1A2
SCHEMBL6930397 0.81 KMT2A (0.63) CYP2C9ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL6931919 0.81 KMT2A (0.70) RXFP1ALDH1A1HPGDPOLBKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 HDAC8 525/4885CYP2C9 2324/4885RXFP1 3601/4885

“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.