SCHEMBL562140

SCHEMBL562140

COCOc1cc(C)c(-c2cccc(CO)c2C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 17/20 0.46
PDCD1 Q15116 4/20 0.46
FFAR1 O14842 1/20 0.39
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
FYN P06241 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
SCHEMBL16239319 0.81 CD274 (0.51) CD274PDCD1FFAR1S1PR1
SCHEMBL15125788 0.81 CD274 (0.51) CD274PDCD1FFAR1S1PR1
SCHEMBL9933567 0.79 CD274 (0.42) CD274PDCD1FFAR1S1PR1S1PR3
SCHEMBL15494593 0.79 CD274 (0.42) CD274PDCD1FFAR1S1PR1S1PR3
SCHEMBL562649 0.77 CHEK1 (0.44) CD274PDCD1FYN
SCHEMBL12641067 0.77 CD274 (0.56) CD274PDCD1FFAR1S1PR1S1PR3
SCHEMBL10010968 0.77 FFAR1 (0.48) CD274PDCD1FFAR1
SCHEMBL562696 0.77 PDCD1 (0.63) CD274PDCD1FFAR1S1PR1S1PR3
SCHEMBL13092124 0.75 CD274 (0.39) CD274PDCD1FFAR1S1PR1S1PR3
SCHEMBL10264618 0.75 ALDH1A1 (0.46) CD274PDCD1FFAR1

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
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

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 CD274 3683/4885PDCD1 4394/4885FFAR1 23/4885

“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.