SCHEMBL6654616

SCHEMBL6654616

CCOc1ccc(CC(OC(C)C)C(=O)OC)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1I2 O75469 1/20 0.38
PPARG P37231 1/20 0.38
AGTR2 P50052 1/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.37
ALOX15 P16050 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6654618 1.00 KDM4E (0.39) KDM4ECYP2D6CYP2C19NR1I2PPARG
SCHEMBL4339988 0.88 PPARG (0.44) KDM4ECYP2D6CYP2C19NR1I2PPARG
SCHEMBL6723571 0.84 KDM4E (0.46) KDM4ECYP2D6CYP2C19PPARGKMT2A
SCHEMBL6723575 0.84 KDM4E (0.46) KDM4ECYP2D6CYP2C19PPARGKMT2A
SCHEMBL6653118 0.79 ACACB (0.52)
SCHEMBL6653115 0.79 ACACB (0.52)
SCHEMBL13810952 0.79 KDM4E (0.41) KDM4ECYP2D6CYP2C19PPARGKMT2A
SCHEMBL4338102 0.77 NPC1 (0.48) KDM4ECYP2D6CYP2C19ALOX15ALDH1A1
SCHEMBL4336878 0.76 CYP2D6 (0.46) KDM4ECYP2D6CYP2C19PPARGMEN1
SCHEMBL13819523 0.74 MEN1 (0.41) KDM4ECYP2D6CYP2C19NR1I2PPARG

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 2 patents. 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
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 KDM4E 3094/4885CYP2D6 331/4885CYP2C19 2209/4885

“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.