SCHEMBL4333361

SCHEMBL4333361

CCOC(=O)C(Cc1ccccc1CBr)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP8 P22894 2/20 0.38
TSHR P16473 2/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
EPHX2 P34913 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACE P12821 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLK1 P53350 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4339994 0.88 CYP4F2 (0.50) PIN1MEN1NPC1KMT2AMMP8
SCHEMBL6723558 0.83 ALDH1A1 (0.37) PIN1MEN1NPC1KMT2AMMP8
SCHEMBL4333358 0.81 CYP4F2 (0.41) MMP8CYP4F2CYP4A11EPHX2PPARG
SCHEMBL13819361 0.79 CYP4F2 (0.41) MMP8TSHRCYP4F2CYP4A11PPARG
SCHEMBL4341251 0.77 PKM (0.60) MEN1KMT2AMMP8TSHRALDH1A1
SCHEMBL6506184 0.75 ALOX15 (0.46) TSHRPPARGPPARAALDH1A1LMNA
SCHEMBL2897931 0.73 TDP1 (0.40) PIN1MEN1NPC1KMT2AMMP8
SCHEMBL4339990 0.73 PPARA (0.43) MMP8TSHRCYP4F2CYP4A11EPHX2
SCHEMBL3991226 0.73 ESR1 (0.45) PPARA
SCHEMBL5384008 0.73 ESR1 (0.45) PPARA

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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 (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 PIN1 4105/4885MEN1 4091/4885NPC1 603/4885

“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.