SCHEMBL12845801

SCHEMBL12845801

CCCCOC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
LMNA P02545 4/20 0.49
ESR1 P03372 8/20 0.45
ALDH1A1 P00352 1/20 0.42
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL11859680 0.85 LMNA (0.46) HPGDRECQLLMNAESR1ALDH1A1
SCHEMBL9852571 0.84 LMNA (0.51) HPGDRECQLLMNAALDH1A1TSHR
SCHEMBL332859 0.84 LMNA (0.54) HPGDLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9413642 0.83 LMNA (0.44) HPGDRECQLLMNAESR1ALDH1A1
SCHEMBL21911756 0.83 LMNA (0.44) HPGDRECQLLMNAESR1ALDH1A1
SCHEMBL7776203 0.83 LMNA (0.44) HPGDRECQLLMNAESR1ALDH1A1
SCHEMBL6362210 0.83 LMNA (0.41) HPGDRECQLLMNAALDH1A1TSHR
SCHEMBL8780022 0.83 LMNA (0.41) HPGDRECQLLMNAALDH1A1TSHR
SCHEMBL8934434 0.82 CYP1A2 (0.41) HPGDRECQLLMNAALDH1A1TSHR
SCHEMBL21783784 0.81 LMNA (0.47) LMNATSHRL3MBTL1RAB9ACYP2C19

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-20110052503-A1 BIODEGRADABLE CONTRAST AGENTS IOPHARMA TECHNOLOGIES AB (SE) 2011-03-03 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-20110052503-A1 BIODEGRADABLE CONTRAST AGENTS CNDP2, RXFP1, RXFP3 HPGD 206/4885RECQL 418/4885LMNA 3913/4885

“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.