SCHEMBL562863

SCHEMBL562863

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10203729 0.86 FFAR1 (0.35) LMNASMN1; SMN2RAB9ANPC1TSHR
SCHEMBL562918 0.83 CD274 (0.44) LMNASMN1; SMN2RAB9ANPC1TSHR
SCHEMBL10203743 0.81 FFAR1 (0.39) LMNASMN1; SMN2TSHRHTTTDP1
SCHEMBL562599 0.81 PTGDR2 (0.48) LMNAALOX15ALDH1A1
SCHEMBL10203744 0.79 FFAR1 (0.42) SMN1; SMN2ALOX15HTTMEN1KMT2A
SCHEMBL561861 0.77 FFAR1 (0.42)
SCHEMBL10203752 0.77 PPARA (0.43) LMNASMN1; SMN2RAB9ANPC1GAA
SCHEMBL10264059 0.76 RECQL (0.46) LMNASMN1; SMN2PKMMAPK1POLB
SCHEMBL562548 0.76 FFAR1 (0.36) TDP1L3MBTL1MAPTALDH1A1
SCHEMBL10203720 0.75 RECQL (0.51) SMN1; SMN2GAAL3MBTL1MEN1KMT2A

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 LMNA 4503/4885SMN1; SMN2 3487/4885RAB9A 4236/4885

“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.