SCHEMBL3166247

SCHEMBL3166247

COc1cccc(CC2CCCCC2COC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
FFAR1 O14842 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALPL P05186 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL3174214 0.85 POLB (0.43) POLBALDH1A1PKMGAAAPEX1
SCHEMBL3159840 0.81 ALDH1A1 (0.54) EEDPOLBALDH1A1PKMLMNA
SCHEMBL4278427 0.81 ALDH1A1 (0.51) EEDPOLBALDH1A1FFAR1PKM
SCHEMBL3165178 0.80 GRM2 (0.50) EEDPOLBALDH1A1FFAR1PKM
SCHEMBL27617425 0.78 ALDH1A1 (0.52) EEDALDH1A1PKMLMNAHTT
SCHEMBL27617581 0.76 ALDH1A1 (0.55) EEDPOLBALDH1A1PKMLMNA
SCHEMBL27792902 0.76 ALDH1A1 (0.54) EEDALDH1A1PKMLMNAHTT
SCHEMBL27617429 0.76 ALDH1A1 (0.54) EEDALDH1A1PKMLMNAHTT
SCHEMBL4278431 0.76 POLB (0.48) EEDPOLBALDH1A1FFAR1KDM4E
SCHEMBL3147684 0.73 MMP1 (0.59) ALDH1A1KDM4EMAPTHTTMTNR1A

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 EED 1836/4885POLB 4222/4885ALDH1A1 3727/4885

“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.