SCHEMBL5778328

SCHEMBL5778328

CC(C)c1cc(F)cc2c1cc1n2CCCC1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.46
S1PR1 P21453 4/20 0.42
PTGER1 P34995 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
PTGFR P43088 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGDR Q13258 3/20 0.40
PDE2A O00408 1/20 0.40

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
SCHEMBL5776338 0.93 TBXA2R (0.52) TBXA2RS1PR1PTGDR2
SCHEMBL5771752 0.93 TBXA2R (0.52) TBXA2RS1PR1PTGDR2
SCHEMBL5775915 0.83 TBXA2R (0.45) TBXA2RS1PR1PTGER1PTGDR2PTGFR
SCHEMBL6727025 0.82 TBXA2R (0.54) TBXA2RS1PR1PTGDR2
SCHEMBL5774771 0.81 TBXA2R (0.56) TBXA2RPTGER1PTGDR2PTGFRPTGER3
SCHEMBL5775673 0.81 S1PR1 (0.42) TBXA2RS1PR1PTGDR2PTGDR
SCHEMBL5835920 0.79 TBXA2R (0.39) TBXA2RPTGDR2
SCHEMBL5836332 0.79 TBXA2R (0.39) TBXA2RPTGDR2
SCHEMBL5779554 0.79 S1PR1 (0.43) TBXA2RS1PR1PTGDR
SCHEMBL5776896 0.76 TBXA2R (0.52) TBXA2RPTGDR2PTGER3PTGER2PTGDR

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
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR TBXA2R 22/4885S1PR1 202/4885PTGER1 4/4885

“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.