SCHEMBL10187504

SCHEMBL10187504

C=CCCC(O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK1 Q13546 1/20 0.41
LTA4H P09960 3/20 0.41
NR1H2 P55055 1/20 0.40
BAX Q07812 1/20 0.40
TGM2 P21980 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL9405193 0.86 PTGS1 (0.47) RIPK1ALDH1A1
SCHEMBL95323 0.84 RIPK1 (0.55) RIPK1
SCHEMBL7484922 0.84 RIPK1 (0.55) RIPK1
SCHEMBL10187514 0.83 HRH3 (0.48) SRD5A2GAAGLAHTTRAB9A
SCHEMBL28547360 0.81 SCN4A (0.42) SRD5A2GAAGLAHTTRAB9A
SCHEMBL21096603 0.81 SCN4A (0.42) SRD5A2GAAGLAHTTRAB9A
SCHEMBL2692390 0.80 AOC3 (0.51) GAASMN1; SMN2TSHRALDH1A1
SCHEMBL28534779 0.77 LTA4H (0.47) SRD5A2GAARIPK1LTA4HNR1H2
Sulfuric Acid SCHEMBL11756260 0.77 RIPK1 (0.47) RAB9ASMN1; SMN2RIPK1ALDH1A1
SCHEMBL11534496 0.77 SRD5A2 (0.46) SRD5A2RIPK1LTA4HNR1H2BAX

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
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-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

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 SRD5A2 1031/4885GAA 44/4885GLA 120/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 SRD5A2 729/4885GAA 72/4885GLA 130/4885

“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.