SCHEMBL2882196

SCHEMBL2882196

CC(C(=O)O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.51
PTGS1 P23219 12/20 0.51
AKR1C3 P42330 3/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 2/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
AKR1C2 P52895 2/20 0.51
ALB P02768 1/20 0.51
ESR1 P03372 1/20 0.51
ALOX5 P09917 1/20 0.51
RARB P10826 1/20 0.51
ADRB3 P13945 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2A P28223 1/20 0.51
NR1I3 Q14994 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
CXCL8 P10145 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL5406236 0.82 PTGS2 (0.46) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL29210240 0.82 L3MBTL1 (0.48) PTGS2PTGS1CYP2C9HTT
SCHEMBL31201807 0.81 IDO1 (0.41) LMNAESR1TSHRHTTKMT2A
SCHEMBL12855497 0.81 IDO1 (0.56) ALOX5KMT2A
SCHEMBL9149778 0.78 PTGS2 (0.57) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL9149782 0.78 PTGS2 (0.57) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL10511243 0.78 IDO1 (0.41) ESR1
SCHEMBL3722014 0.78 RXRA (0.51)
SCHEMBL5029906 0.78 CA2 (0.48) PTGS1LMNATSHRHTT
SCHEMBL10469262 0.77 PTGS2 (0.46) PTGS2PTGS1AKR1C3LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R PTGS2 1964/4885PTGS1 1485/4885AKR1C3 188/4885

“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.