SCHEMBL10187517

SCHEMBL10187517

O=C(CCC1CS1)c1ccc2c3c(oc2c1)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 5/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
USP2 O75604 2/20 0.37
RECQL P46063 1/20 0.37
NFKB1 P19838 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL10187518 0.85 CYP1A2 (0.40) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10187521 0.84 CYP1A2 (0.36) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7422283 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7428454 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7481793 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7701525 0.78 GNG2 (0.52) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7561730 0.78 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7428940 0.78 FHIT (0.46) CYP1A2CYP3A4CYP2C19MAPTNFKB1
SCHEMBL10187519 0.78 CYP1A2 (0.40) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10187520 0.74 CYP1A2 (0.47) KDM4EALDH1A1HPGDHSD17B10GLA

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
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 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 (2 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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 KDM4E 2552/4885ALDH1A1 333/4885HPGD 189/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 KDM4E 2702/4885ALDH1A1 403/4885HPGD 98/4885

“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.