SCHEMBL5778331

SCHEMBL5778331

CC(C)c1cc(F)cn2c3c(cc12)C(CC(=O)O)CCC3

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.38
PTGDR Q13258 13/20 0.36
PDE2A O00408 4/20 0.36
NLRP3 Q96P20 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33

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
SCHEMBL5774776 0.84 PDE2A (0.46) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL5775918 0.83 PDE2A (0.41) TBXA2RPTGDRPDE2APTGER1PTGER4
SCHEMBL253565 0.67 FFAR1 (0.41) TBXA2RPTGDRPDE2A
SCHEMBL5778328 0.66 TBXA2R (0.46) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL8780415 0.63 KDM4C (0.54) TBXA2R
SCHEMBL5776338 0.63 TBXA2R (0.52) TBXA2R
SCHEMBL5771752 0.63 TBXA2R (0.52) TBXA2R
SCHEMBL5779249 0.61 TBXA2R (0.38) TBXA2RPTGDRPDE2ANLRP3
SCHEMBL5776344 0.61 TBXA2R (0.38) TBXA2RPTGDRPDE2ANLRP3
SCHEMBL9878838 0.61 TBXA2R (0.63) TBXA2RPTGDRPDE2APTGER1PTGER4

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 22/4885PTGDR 1/4885PDE2A 554/4885

“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.