SCHEMBL7112243

SCHEMBL7112243

C[C@H](NCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.61
THRA P10827 10/20 0.61
PPARG P37231 7/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 5/20 0.61
ADORA3 P0DMS8 3/20 0.61
PDE4D Q08499 3/20 0.61
HSD17B10 Q99714 3/20 0.61
RXRA P19793 3/20 0.61
TTR P02766 2/20 0.61
NR1I2 O75469 2/20 0.61
CYP1A2 P05177 2/20 0.61
HTR1A P08908 2/20 0.61
CYP2C9 P11712 2/20 0.61
HTR2B P41595 2/20 0.61
PGR P06401 2/20 0.61
NR3C1 P04150 1/20 0.61
TBXA2R P21731 1/20 0.61
NTSR1 P30989 1/20 0.61

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
SCHEMBL7112240 1.00 THRB (0.61) THRBTHRAPPARGMEN1KMT2A
SCHEMBL6862911 0.80 THRB (0.58) THRBTHRAPPARGMEN1KMT2A
SCHEMBL3217395 0.80 THRB (0.73) THRBTHRAPPARGMEN1KMT2A
SCHEMBL18908564 0.77 THRB (0.70) THRBTHRAPPARGMEN1KMT2A
SCHEMBL1526276 0.77 THRB (0.65) THRBTHRAPPARGMEN1KMT2A
SCHEMBL17612149 0.77 THRB (0.65) THRBTHRAPPARGMEN1KMT2A
SCHEMBL6995423 0.77 THRB (0.65) THRBTHRAPPARGMEN1KMT2A
SCHEMBL31542039 0.77 MEP1B (0.40) LMNAHSD17B10ALDH1A1MAPTPOLB
SCHEMBL17612148 0.76 THRB (0.68) THRBTHRAPPARGMEN1KMT2A
SCHEMBL30354491 0.76 THRB (0.68) THRBTHRAPPARGMEN1KMT2A

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-20030032578-A1 Antifungal and antiparasitic compounds UNITED STATES GOVERNMENT 2003-02-13 US disclosed
US-6403576-B1 CHOLESTEROL SYNTHESIS INHIBITOR THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2002-06-11 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-20030032578-A1 Antifungal and antiparasitic compounds PIGO, CAT, ERG28 THRB 3884/4885THRA 4025/4885PPARG 1729/4885

“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.