SCHEMBL562918

SCHEMBL562918

Cc1cc(OCCOC(=O)c2ccccc2)cc(C)c1-c1cccc(CO)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.44
PDCD1 Q15116 1/20 0.44
FFAR1 O14842 1/20 0.43
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL562863 0.83 LMNA (0.41) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL15125788 0.77 CD274 (0.51) CD274PDCD1FFAR1TDP1L3MBTL1
SCHEMBL16239319 0.77 CD274 (0.51) CD274PDCD1FFAR1TDP1L3MBTL1
SCHEMBL562886 0.77 FFAR1 (0.42) CD274FFAR1TDP1L3MBTL1TP53
SCHEMBL10010968 0.76 FFAR1 (0.48) CD274PDCD1FFAR1
SCHEMBL10264348 0.76 RECQL (0.47) CD274PDCD1FFAR1LMNAPKM
SCHEMBL9933567 0.75 CD274 (0.42) CD274PDCD1FFAR1
SCHEMBL15494593 0.75 CD274 (0.42) CD274PDCD1FFAR1SMN1; SMN2TP53
SCHEMBL13092122 0.75 PPARD (0.38) CD274FFAR1
SCHEMBL562357 0.75 RECQL (0.52) CD274SMN1; SMN2

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 5 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
WO-2010123016-A1 CARBOXYLIC ACID COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO 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.