SCHEMBL4432441

SCHEMBL4432441

Cc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccc2ccccc2c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.43
RORA P35398 9/20 0.41
RORC P51449 9/20 0.41
RORB Q92753 9/20 0.41
NR1H3 Q13133 1/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNJ11 Q14654 4/20 0.35
ABCC9 O60706 3/20 0.35
ABCC8 Q09428 3/20 0.35
KCNJ8 Q15842 3/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL1810494 0.87 PGR (0.46) PGRRORARORCRORBNR1H3
SCHEMBL1811446 0.79 HDAC1 (0.45) PGRRORARORCRORBNR1H3
SCHEMBL1811056 0.79 PGR (0.47) PGRRORARORCRORBNR1H3
SCHEMBL1810839 0.77 BRD4 (0.51) PGRRORARORCRORBNR1H3
SCHEMBL4424143 0.76 PGR (0.35) PGRRORARORCRORBNR1H3
SCHEMBL1812436 0.73 PGR (0.42) PGRRORARORCRORBNR1H3
SCHEMBL1811074 0.72 PPARG (0.38) PGRRORARORCRORBNR1H3
SCHEMBL1808753 0.72 PGR (0.46) PGRRORARORCRORBNR1H3
SCHEMBL4417579 0.70 BRD4 (0.40) PGRRORARORCRORBNR1H3
SCHEMBL1811315 0.69 CCR2 (0.51) PGRHDAC1HDAC2HDAC8HDAC6

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-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 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-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 PGR 210/4885RORA 64/4885RORC 178/4885

“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.