SCHEMBL6723558

SCHEMBL6723558

CCCOC(Cc1ccccc1CBr)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PIN1 Q13526 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP8 P22894 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC2 Q92769 1/20 0.34
PLK1 P53350 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6724782 0.87 CYP4F2 (0.49) ALDH1A1PPARGPPARAPIN1TDP1
SCHEMBL4333361 0.83 PIN1 (0.39) ALDH1A1PPARGPPARAPIN1TDP1
SCHEMBL6723554 0.80 CYP4F2 (0.40) PPARGPPARASMN1; SMN2MMP8CYP4F2
SCHEMBL27549599 0.77 TSHR (0.41) ALDH1A1PPARGPPARAPIN1TDP1
SCHEMBL27683169 0.75 PPARG (0.44) ALDH1A1PPARGPPARALMNAMEN1
SCHEMBL27701548 0.75 TSHR (0.43) ALDH1A1PPARGPPARALMNAPOLB
SCHEMBL6718321 0.74 CA12 (0.45) PPARGPPARAPIN1SMN1; SMN2MEN1
SCHEMBL5379694 0.72 ESR1 (0.45) ALDH1A1PPARGPPARATDP1LMNA
SCHEMBL5379702 0.72 ESR1 (0.45) ALDH1A1PPARGPPARATDP1LMNA
SCHEMBL6724780 0.72 PPARA (0.42) PPARGPPARASMN1; SMN2MMP8CYP4F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ALDH1A1 844/4885PPARG 379/4885PPARA 339/4885

“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.