SCHEMBL7554684

SCHEMBL7554684

CC(C)SCC(O)COc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
HPGD P15428 2/20 0.64
MMP2 P08253 5/20 0.54
MMP3 P08254 4/20 0.54
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
AGER Q15109 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB11 O95342 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL10708127 0.82 ALDH1A1 (0.66) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL6110358 0.79 ALDH1A1 (0.66) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL773191 0.79 ALDH1A1 (0.67) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL9924742 0.78 MMP2 (0.61) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL7507012 0.77 MMP3 (0.71) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL16450860 0.77 ALDH1A1 (0.63) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL10420085 0.77 ALDH1A1 (0.63) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL25484191 0.76 LMNA (0.60) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL29113764 0.76 LMNA (0.60) ALDH1A1HPGDMMP2MMP3KDM4E
SCHEMBL30102507 0.76 LMNA (0.60) ALDH1A1HPGDMMP2MMP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001930-B1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-12-04 EP disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 ALDH1A1 404/4885HPGD 59/4885MMP2 4/4885

“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.