SCHEMBL5998701

SCHEMBL5998701

CC(OCc1ccc(I)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CYP3A4 P08684 2/20 0.42
IDO1 P14902 2/20 0.42
APP P05067 4/20 0.42
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2718708 1.00 RXRA (0.46) RXRARXRBCYP3A4IDO1APP
SCHEMBL2719020 1.00 RXRA (0.46) RXRARXRBCYP3A4IDO1APP
SCHEMBL27830644 0.85 SLC7A5 (0.47) IDO1PPARGPPARASLC1A3SLC1A2
SCHEMBL138280 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27757196 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL138281 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1706675 0.83 KMT2A (0.56) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1533101 0.82 NR4A2 (0.46) CYP3A4IDO1PPARGPPARACYP2D6
SCHEMBL1967754 0.82 RXRA (0.46) RXRARXRBIDO1PPARGPPARA
SCHEMBL21506677 0.82 RXRA (0.54) RXRARXRBIDO1PPARGPPARA

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-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 RXRA 307/4885RXRB 262/4885CYP3A4 21/4885

“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.