SCHEMBL3169286

SCHEMBL3169286

O=C(O)COc1cc(CCCI)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.43
PKM P14618 1/20 0.42
PPARG P37231 2/20 0.41
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL3166403 0.87 PTGDR2 (0.46) PTGDR2PKMPPARGFFAR1PPARD
SCHEMBL14316632 0.79 PTGDR2 (0.51) PTGDR2PKMPPARGFFAR1PPARD
SCHEMBL27792522 0.79 PKM (0.46) PTGDR2PKMPPARGFFAR1PPARD
SCHEMBL4275713 0.78 CYP4F2 (0.66) CYP4F2CYP4A11
SCHEMBL4275709 0.76 CYP4F2 (0.48) PPARGPPARACYP4F2CYP4A11
SCHEMBL3172754 0.75 KCNH2 (0.52) PTGDR2
SCHEMBL3174338 0.74 TSHR (0.48) PPARGFFAR1PPARDPPARA
SCHEMBL3165681 0.74 PPARA (0.70) PTGDR2PPARGFFAR1PPARA
SCHEMBL2782419 0.72 CYP3A4 (0.47) PPARGFFAR1PPARDPPARA
SCHEMBL765038 0.72 PTGDR2 (0.56) PTGDR2PKMFFAR1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885PKM 4760/4885PPARG 1069/4885

“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.