SCHEMBL3550995

SCHEMBL3550995

CCCc1ccccc1Oc1cccc([C@@](C)(O)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
RIPK1 Q13546 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 1/20 0.40
P2RX4 Q99571 1/20 0.39
PPARD Q03181 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
SLC1A5 Q15758 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL3550125 0.89 AR (0.43) ARRIPK1NPSR1L3MBTL1HRH1
SCHEMBL5175479 0.83 PPARG (0.46) PPARDPPARGPPARANPC1POLB
SCHEMBL7319456 0.80 AKR1C3 (0.50) L3MBTL1PPARGPPARANPC1POLB
SCHEMBL6938403 0.77 AR (0.49) ARRIPK1HRH1SLC6A2SLC6A4
SCHEMBL1696335 0.75 HRH1 (0.67) ARRIPK1HRH1SLC6A2SLC6A4
SCHEMBL29815703 0.75 HRH1 (0.67) ARRIPK1HRH1SLC6A2SLC6A4
SCHEMBL5176042 0.74 PPARG (0.45) P2RX4PPARDPPARGPPARALTB4R
SCHEMBL8359094 0.73 POLB (0.50) ARPPARDPOLB
SCHEMBL1368545 0.72 CES2 (0.49) NPSR1NPC1POLBRAB9A
SCHEMBL14266929 0.72 RIPK1 (0.46) ARRIPK1NPSR1L3MBTL1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
EP-1709014-B1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1709014-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2006-10-11 EP disclosed
WO-2005070905-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2005-08-04 WO 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG AR 1246/4885RIPK1 3642/4885NPSR1 3802/4885
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones PPARD, PPARA, PPARG AR 1305/4885RIPK1 3897/4885NPSR1 3627/4885

“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.