SCHEMBL6976981

SCHEMBL6976981

CC(C)(C)OC(=O)C[C@H](C(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
PRKCA P17252 2/20 0.50
PRKCD Q05655 2/20 0.50
ALOX5 P09917 1/20 0.48
MAOB P27338 1/20 0.48
LTA4H P09960 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6976976 1.00 FFAR1 (0.50) FFAR1PRKCAPRKCDALOX5MAOB
SCHEMBL8770928 0.86 FFAR1 (0.51) FFAR1PRKCAPRKCDALOX5MAOB
SCHEMBL1915216 0.84 SMN1; SMN2 (0.47) POLBTDP1L3MBTL1MEN1MAPT
SCHEMBL1915123 0.84 SMN1; SMN2 (0.47) POLBTDP1L3MBTL1MEN1MAPT
SCHEMBL1915127 0.84 SMN1; SMN2 (0.47) POLBTDP1L3MBTL1MEN1MAPT
SCHEMBL13118134 0.83 FFAR1 (0.52) FFAR1
SCHEMBL30771411 0.82 SYK (0.53) PRKCAPRKCDALOX5MAOBLTA4H
SCHEMBL6741799 0.82 PRKCA (0.46) FFAR1PRKCAPRKCDALOX5MAOB
SCHEMBL6741789 0.82 PRKCA (0.46) FFAR1PRKCAPRKCDALOX5MAOB
SCHEMBL3523470 0.82 FFAR1 (0.66) FFAR1PPARGPPARA

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-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 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-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 FFAR1 2386/4885PRKCA 4160/4885PRKCD 4676/4885

“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.