SCHEMBL3554098

SCHEMBL3554098

CCCc1cc(-c2cccc3cc(OC)ccc23)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.39
PPARG P37231 9/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
FPR1 P21462 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PGR P06401 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
P2RX3 P56373 2/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL3545568 0.88 TLR8 (0.40) PTGER3PPARGCYP3A4CYP2C8CYP2D6
SCHEMBL3550118 0.87 HPGD (0.41) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13114534 0.84 PPARG (0.39) PTGER3PPARGCYP3A4CYP2C8CYP2D6
SCHEMBL3547487 0.83 PPARG (0.48) PTGER3PPARGCYP3A4CYP2C8CYP2D6
SCHEMBL13114569 0.82 PPARG (0.41) PTGER3PPARGCYP3A4CYP2C8CYP2D6
SCHEMBL3552987 0.81 PPARG (0.41) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3547512 0.81 PPARG (0.41) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3551254 0.81 PPARG (0.41) PTGER3PPARGCYP3A4CYP2C8CYP2D6
SCHEMBL13283072 0.79 CA12 (0.37) PPARGCYP2C9PPARDPPARA
SCHEMBL3544506 0.79 PPARG (0.40) PTGER3PPARGCYP3A4CYP2C8CYP2D6

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 7 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-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 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 (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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG PTGER3 526/4885PPARG 3/4885CYP3A4 342/4885

“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.