SCHEMBL6002168

SCHEMBL6002168

CCc1ccc(OC(C(=O)O)C(C)(C)C)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
NR1I2 O75469 1/20 0.41
AGTR2 P50052 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
FFAR1 O14842 1/20 0.36
LDHA P00338 1/20 0.36
PPARA Q07869 3/20 0.36
ALOX15 P16050 2/20 0.35
EDNRB P24530 3/20 0.34
EDNRA P25101 3/20 0.34
PPARD Q03181 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1025381 0.80 ALDH1A1 (0.36) PPARGNR1I2AGTR2MEN1BLM
SCHEMBL2104209 0.80 TSHR (0.46) PPARGMEN1KMT2APPARAEDNRB
SCHEMBL1371338 0.76 KMT2A (0.40) PPARGNR1I2KMT2APPARAEDNRB
SCHEMBL1025798 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL4977225 0.72 PTGDR2 (0.54) MEN1KMT2AFFAR1
SCHEMBL22462124 0.71 AKT1 (0.55) PPARGNR1I2AGTR2MEN1BLM
Iodide SCHEMBL5967764 0.70 PTGDR2 (0.52) MEN1KMT2AFFAR1
Iodide SCHEMBL5967765 0.70 PTGDR2 (0.52) MEN1KMT2AFFAR1
SCHEMBL11104758 0.69 PPARA (0.42) PPARGAKR1C3AKR1C2LDHAPPARA
SCHEMBL3397535 0.69 EDNRB (0.40) MEN1BLMKMT2AAKR1C3AKR1C2

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-20060211765-A1 Novel compounds ASTRAZENECA AB (SE) 2006-09-21 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-20060211765-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PPARG 30/4885NR1I2 774/4885AGTR2 22/4885

“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.