SCHEMBL562065

SCHEMBL562065

COC(=O)c1ccc(F)cc1OC1CCOC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL563228 0.86 TSHR (0.42) TSHRSMN1; SMN2POLBKDM4EMEN1
SCHEMBL11151363 0.85 DDB1 (0.58) TSHRDDB1CRBNSMN1; SMN2POLB
SCHEMBL11158065 0.77 POLB (0.44) TSHRDDB1CRBNSMN1; SMN2POLB
SCHEMBL11156201 0.76 TSHR (0.62) TSHRDDB1CRBNSMN1; SMN2POLB
SCHEMBL31566422 0.76 FFAR4 (0.45) DDB1CRBNSMN1; SMN2FFAR4MEN1
SCHEMBL11383969 0.75 POLB (0.44) TSHRDDB1CRBNSMN1; SMN2POLB
SCHEMBL11247336 0.74 HTT (0.45) TSHRSMN1; SMN2POLBKDM4EMAPK1
SCHEMBL19527472 0.73 SMN1; SMN2 (0.35) TSHRSMN1; SMN2POLBKDM4EMEN1
SCHEMBL3165795 0.72 KMT2A (0.52) SMN1; SMN2FFAR4KDM4EMEN1KMT2A
SCHEMBL1146881 0.72 FFAR4 (0.55) TSHRSMN1; SMN2FFAR4KDM4EMEN1

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 1637/4885DDB1 3610/4885CRBN 3213/4885

“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.