SCHEMBL10187519

SCHEMBL10187519

C=CCCC(=O)c1ccc2c3c(oc2c1)CCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 7/20 0.38
NFKB1 P19838 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
KMT2A Q03164 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
STS P08842 3/20 0.37
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL7422283 0.83 KDM4E (0.48) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL7428454 0.82 KDM4E (0.47) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL7481793 0.81 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL7701525 0.80 GNG2 (0.52) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL7561730 0.80 KDM4E (0.46) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL7428940 0.80 FHIT (0.46) CYP1A2CYP3A4CYP2C19NFKB1KMT2A
SCHEMBL10187518 0.80 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL10187517 0.78 KDM4E (0.39) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL10187520 0.76 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19KDM4ENFKB1
SCHEMBL7427640 0.72 KDM4E (0.47) CYP1A2CYP3A4CYP2C19KDM4ENFKB1

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 CYP1A2 902/4885CYP3A4 2685/4885CYP2C19 1630/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 CYP1A2 561/4885CYP3A4 2085/4885CYP2C19 999/4885

“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.