SCHEMBL5779554

SCHEMBL5779554

COc1cc(C(C)C)c2cc3n(c2c1)CCC3CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.43
S1PR5 Q9H228 2/20 0.41
TBXA2R P21731 3/20 0.39
S1PR4 O95977 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
PTGDR Q13258 1/20 0.35

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
SCHEMBL5777734 0.87 S1PR1 (0.43) S1PR1S1PR5TBXA2RS1PR4
SCHEMBL5775673 0.86 S1PR1 (0.42) S1PR1S1PR5TBXA2RS1PR4PTGDR
SCHEMBL5777162 0.86 S1PR1 (0.48) S1PR1S1PR5S1PR4
SCHEMBL5776338 0.85 TBXA2R (0.52) S1PR1TBXA2R
SCHEMBL5771752 0.85 TBXA2R (0.52) S1PR1TBXA2R
SCHEMBL5775625 0.85 S1PR1 (0.47) S1PR1S1PR5TBXA2RS1PR4FFAR4
SCHEMBL5776056 0.84 KDM4E (0.32) S1PR1
SCHEMBL5777074 0.82 S1PR1 (0.43) S1PR1S1PR5TBXA2RS1PR4FFAR4
SCHEMBL5778328 0.79 TBXA2R (0.46) S1PR1TBXA2RPTGDR
SCHEMBL5777130 0.75 S1PR1 (0.44) S1PR1S1PR5TBXA2RS1PR4FFAR4

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 S1PR1 202/4885S1PR5 264/4885TBXA2R 22/4885

“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.