SCHEMBL4596931

SCHEMBL4596931

O=C(O)CCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.49
FFAR1 O14842 4/20 0.48
SLC6A2 P23975 1/20 0.48
P2RY14 Q15391 1/20 0.48
KIF11 P52732 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43

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
SCHEMBL2541520 0.82 PTGER4 (0.61) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3859024 0.81 FFAR4 (0.51) FFAR4FFAR1PTGER4PTGER3
SCHEMBL2393327 0.80 POLB (0.54) FFAR4FFAR1MEN1KMT2APPARG
SCHEMBL26136102 0.75 FFAR1 (0.45) FFAR4FFAR1PSEN1PSEN2APH1B
SCHEMBL4007916 0.75 FFAR1 (0.58) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL2539389 0.74 FFAR4 (0.51) FFAR4FFAR1PSEN1RXRARXRB
SCHEMBL2533427 0.74 FFAR4 (0.51) FFAR4FFAR1PSEN1RXRARXRB
SCHEMBL7796587 0.74 NR1H4 (0.57) FFAR4RXRARXRBRXRGMEN1
SCHEMBL330660 0.74 ACMSD (0.66) SLC6A2P2RY14KIF11RXRARXRB
SCHEMBL15434102 0.73 FFAR1 (0.50) FFAR4FFAR1PPARGPPARDPPARA

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
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 FFAR4 4600/4885FFAR1 4414/4885SLC6A2 4433/4885

“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.