SCHEMBL562787

SCHEMBL562787

Cc1cc(OC[C@H]2COC(C)(C)O2)cc(C)c1-c1cccc(C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.40
PTGER1 P34995 1/20 0.37
MYC P01106 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL563219 0.90 MAPK14 (0.40) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL562380 0.87 MAPK14 (0.38) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL13091941 0.83 KCNJ5 (0.39) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL10203755 0.83 KCNJ5 (0.39) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL10203732 0.82 MAPK14 (0.40) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL563285 0.82 MAPK14 (0.40) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL6584970 0.82 TMEM97 (0.41) MAPK14PTGER1TMEM97SIGMAR1KCNJ5
SCHEMBL6584978 0.82 TMEM97 (0.41) MAPK14PTGER1TMEM97SIGMAR1KCNJ5
SCHEMBL13092079 0.78 MAPK14 (0.38) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL14882376 0.78 ALDH1A1 (0.51) MAPK14TMEM97SIGMAR1KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 MAPK14 1857/4885PTGER1 2129/4885MYC 703/4885

“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.