SCHEMBL563228

SCHEMBL563228

O=C(O)c1ccc(F)cc1OC1CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 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
SCHEMBL562065 0.86 TSHR (0.50) TSHRSMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL11238401 0.83 KDM4E (0.45) TSHRSMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL22789784 0.77 KDM4E (0.42) TSHRSMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL31197237 0.77 GRIK1 (0.43) KEAP1
SCHEMBL11153483 0.76 GRIK1 (0.45) TSHRSMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL11155638 0.74 POLB (0.43) TSHRSMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL3971854 0.72 SMN1; SMN2 (0.41) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4272731 0.71 KEAP1 (0.41) KEAP1
SCHEMBL4272734 0.71 KEAP1 (0.41) KEAP1
SCHEMBL19527472 0.71 SMN1; SMN2 (0.35) TSHRSMN1; SMN2KDM4ECYP1A2CYP2C19

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 TSHR 1637/4885SMN1; SMN2 3487/4885KDM4E 1392/4885

“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.