SCHEMBL3554551

SCHEMBL3554551

C[C@]1(c2cccc(OCc3ccccc3)c2)OC(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
MAOB P27338 9/20 0.47
MAOA P21397 4/20 0.45
PPARG P37231 2/20 0.44
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
NR4A2 P43354 1/20 0.44
GRM5 P41594 1/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL542350 0.76 MMP8 (0.57) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL27702623 0.76 PPARG (0.43) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL14261711 0.76 PPARG (0.43) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL27702625 0.76 PPARG (0.43) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL6237090 0.76 MMP2 (0.47) HTR2AMMP2PPARGCYP2C9
SCHEMBL16504366 0.74 HTR1A (0.43) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL3547985 0.74 PTGER3 (0.46) DRD1HTR6PPARGCYP3A4CYP2C8
SCHEMBL4949257 0.73 HCAR2 (0.52) PPARGL3MBTL1CYP3A4CYP2C8CYP2D6
SCHEMBL5176242 0.73 PTGER3 (0.39) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL18567183 0.72 HRH3 (0.48) HTR1ADRD1HTR2AHTR7HTR6

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-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

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 HTR1A 1712/4885DRD1 720/4885HTR2A 163/4885

“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.