SCHEMBL5634815

SCHEMBL5634815

CCOC(=O)C(=O)C(C)c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ACACB O00763 1/20 0.40
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 1/20 0.37
OPRM1 P35372 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8626625 0.84 TSHR (0.40) MEN1KMT2AACACBLMNAPTGS2
SCHEMBL9438866 0.83 SMN1; SMN2 (0.49) KYAT1MEN1KMT2ALMNAMAPT
SCHEMBL7636543 0.83 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2CASP1
SCHEMBL10566626 0.81 PTGS2 (0.57) MEN1KMT2AMAPTPTGS2SMN1; SMN2
SCHEMBL11653637 0.81 NR1H4 (0.43) MEN1KMT2ALMNAMAPTCYP2C9
SCHEMBL8613437 0.80 PTGS2 (0.47) MEN1KMT2AACACBLMNAMAPT
SCHEMBL28421759 0.77 OPRM1 (0.39) KYAT1MEN1KMT2AACACBLMNA
SCHEMBL15030577 0.75 MMP8 (0.51) KYAT1MEN1KMT2ALMNAOPRM1
SCHEMBL31615146 0.73 ALDH1A1 (0.44) MEN1KMT2ALMNAMAPTHTT
SCHEMBL4863847 0.73 KYAT1 (0.40) KYAT1MEN1KMT2ALMNAMAPT

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-7220877-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2007-05-22 US disclosed
EP-1438283-A1 DICARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE NOVO NORDISK A/S (DK) 2004-07-21 EP disclosed
US-20030109579-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2003-06-12 US disclosed
WO-2003033453-A1 DICARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2003-04-24 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-20030109579-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD KYAT1 776/4885MEN1 4854/4885KMT2A 3999/4885

“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.