SCHEMBL1758337

SCHEMBL1758337

COC(=O)Cn1c(C)c(-c2ccc(=O)[nH]c2)c2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HK1 P19367 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 1/20 0.43
PTGDR Q13258 1/20 0.43
CASP3 P42574 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
SCHEMBL1757605 0.90 HSD17B10 (0.48) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1757420 0.88 PTGDR2 (0.51) PTGDR2ALDH1A1MAPTHSD17B10
SCHEMBL1757971 0.88 PTGDR2 (0.50) PTGDR2ALDH1A1MAPT
SCHEMBL1757765 0.87 KDM4E (0.49) PTGDR2ALDH1A1LMNAHSD17B10
SCHEMBL1757577 0.82 PTGDR2 (0.52) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1757922 0.78 PTGDR2 (0.80) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1757256 0.77 PTGDR2 (0.80) PTGDR2
SCHEMBL1758058 0.76 PTGDR2 (0.82) PTGDR2
SCHEMBL1758346 0.76 ALDH1A1 (0.58) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1757608 0.75 PTGDR2 (0.73) PTGDR2

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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 PTGDR2 13/4885ALDH1A1 1069/4885LMNA 4342/4885

“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.