SCHEMBL10049359

SCHEMBL10049359

COc1ccc(Cc2ccccc2CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
LTA4H P09960 1/20 0.53
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
KLK7 P49862 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 2/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABCB1 P08183 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL14259334 0.86 TDP1 (0.51) ALDH1A1L3MBTL1LTA4HMTNR1AMTNR1B
SCHEMBL11684699 0.86 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAPK1SMN1; SMN2MAPT
SCHEMBL1171464 0.86 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAPK1SMN1; SMN2MAPT
SCHEMBL3727812 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KLK7
SCHEMBL6393931 0.83 MMP2 (0.61) ALDH1A1L3MBTL1LTA4HMTNR1AMTNR1B
SCHEMBL7865853 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KLK7
SCHEMBL28250075 0.81 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1SMN1; SMN2MAPT
SCHEMBL10049358 0.80 MMP2 (0.66) ALDH1A1L3MBTL1MAPK1SMN1; SMN2MAPT
SCHEMBL10049367 0.78 MMP2 (0.73) ALDH1A1L3MBTL1MAPK1
SCHEMBL8231569 0.78 MMP2 (0.73)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093386-B2 Thioaryl substituted inhibitors of zinc proteases and their use BRACCO IMAGING S.P.A (IT) 2012-01-10 US disclosed
US-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE BRACCO IMAGING SPA (IT) 2009-09-24 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-20090239829-A1 THIOARYL SUBSTITUTED INHIBITORS OF ZINC PROTEASES AND THEIR USE SERPINB1, ZFX, MMP2 ALDH1A1 1406/4885L3MBTL1 1167/4885MAPK1 4729/4885

“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.