SCHEMBL5772507

SCHEMBL5772507

Cc1ccc(-c2oncc2CCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.50
RXRB P28702 4/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DDAH1 O94760 1/20 0.48
CYP1A2 P05177 1/20 0.48
FFAR1 O14842 3/20 0.46
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
APEX1 P27695 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5774948 0.87 FFAR1 (0.51) RXRARXRBALDH1A1MAPTKDM4E
SCHEMBL5774472 0.86 RXRA (0.50) RXRARXRBALDH1A1MAPTKDM4E
SCHEMBL5772923 0.85 TSHR (0.55) RXRARXRBALDH1A1MAPTKDM4E
SCHEMBL5776861 0.85 PPARA (0.48) RXRARXRBALDH1A1MAPTKDM4E
SCHEMBL5773998 0.85 FFAR1 (0.46) RXRARXRBALDH1A1MAPTKDM4E
SCHEMBL5773431 0.85 FFAR4 (0.45) RXRARXRBALDH1A1MAPTKDM4E
SCHEMBL5774360 0.85 LMNA (0.57) ALDH1A1MAPTKDM4EFFAR1ALOX15
SCHEMBL5773406 0.85 CCNC (0.44) RXRARXRBALDH1A1MAPTKDM4E
SCHEMBL5768932 0.82 FFAR1 (0.43) RXRARXRBALDH1A1MAPTFFAR1
SCHEMBL5774001 0.82 FFAR1 (0.49) RXRARXRBFFAR1FFAR4NR1H4

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
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR RXRA 445/4885RXRB 494/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RXRA 462/4885RXRB 550/4885ALDH1A1 682/4885

“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.