SCHEMBL9909171

SCHEMBL9909171

COC(=O)c1cc(C)c2nccc(-c3c(F)ccc(OC)c3F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
FGFR3 P22607 1/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA2 P47869 4/20 0.36
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PDE4B Q07343 1/20 0.34
MAPT P10636 1/20 0.34
PDK2 Q15119 1/20 0.34
MGLL Q99685 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
DHODH Q02127 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL9909250 0.90 LMNA (0.41) GPBAR1PTGDR2FGFR3GABRG2GABRB3
SCHEMBL9907519 0.90 PDK2 (0.35) PTGDR2ROCK2ROCK1MAPTPDK2
SCHEMBL9907417 0.85 PTGDR2 (0.42) PTGDR2PDK2CYP2C9PTGS1SLC6A4
SCHEMBL9907860 0.85 HTR5A (0.46) GPBAR1
SCHEMBL9909254 0.84 GRM2 (0.37) PTGDR2MAPTPDK2CYP2C9PTGS1
SCHEMBL9907468 0.83 PTGDR2 (0.39) PTGDR2MAPTPDK2CYP2C9PTGS1
SCHEMBL9907424 0.83 MAPK14 (0.39) PTGDR2MAPTPDK2CYP2C9PTGS1
SCHEMBL12874637 0.81 HTR5A (0.38) GPBAR1PTGDR2GABRG2GABRB3GABRA2
SCHEMBL9907420 0.81 MAPK14 (0.44) PTGDR2ROCK2ROCK1CYP2C9PTGS1
SCHEMBL31510024 0.79 KDM4E (0.42) MAPT

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E GPBAR1 164/4885PTGDR2 977/4885FGFR3 2795/4885

“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.