SCHEMBL10187482

SCHEMBL10187482

c1ccc(Oc2ccc(CC3CO3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
LTA4H P09960 5/20 0.50
TSHR P16473 2/20 0.44
CNR2 P34972 1/20 0.44
FFAR1 O14842 1/20 0.43
SRD5A2 P31213 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
NAAA Q02083 1/20 0.41
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
MAOA P21397 1/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3372450 0.92 TDP1 (0.39) TDP1LTA4HTSHRCNR2ALDH1A1
SCHEMBL1425747 0.92 TDP1 (0.39) TDP1LTA4HTSHRCNR2ALDH1A1
SCHEMBL6305833 0.92 TDP1 (0.39) TDP1LTA4HTSHRCNR2ALDH1A1
SCHEMBL4365294 0.84 ALDH1A1 (0.50) TDP1TSHRALDH1A1TP53CYP3A4
SCHEMBL51254 0.82 SLC6A2 (0.50) TDP1TSHRMEN1KMT2A
SCHEMBL2186411 0.82 SLC6A2 (0.50) TDP1TSHRMEN1KMT2A
SCHEMBL873444 0.82 SLC6A2 (0.50) TDP1TSHRMEN1KMT2A
SCHEMBL28099136 0.82 TDP1 (0.45) TDP1TSHRALDH1A1TP53CYP3A4
Methane SCHEMBL28820455 0.80 SLC6A2 (0.48) TDP1MEN1KMT2A
Water SCHEMBL27572757 0.80 SLC6A2 (0.48) TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021019998-A1 PERFLUOROPOLYETHER COMPOUND, LUBRICANT, AND MAGNETIC DISC 株式会社MORESCO 2021-02-04 WO 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-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 TDP1 2917/4885LTA4H 504/4885TSHR 4135/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 TDP1 1708/4885LTA4H 229/4885TSHR 4586/4885

“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.