SCHEMBL4427001

SCHEMBL4427001

CC[Si](CC)(CC)OC(c1ccc2c(c1)cc(C=O)n2Cc1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.37
▸ CFTR P13569 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ TLR7 Q9NYK1 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32

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
SCHEMBL4421568 0.82 CCR2 (0.37) CCR2CFTRALDH1A1LMNACNR2
SCHEMBL1809861 0.79 PGR (0.45) CCR2ALDH1A1LMNANPSR1
SCHEMBL4415647 0.78 KCNQ3 (0.41) BRD4
SCHEMBL27862731 0.72 LMNA (0.53) CCR2ALDH1A1LMNANPSR1TP53
SCHEMBL27865077 0.72 NPC1 (0.50) CCR2CFTRALDH1A1LMNANPSR1
SCHEMBL4417792 0.71 ICMT (0.39) PLA2G2A
SCHEMBL6867972 0.71 ALDH1A1 (0.53) CCR2ALDH1A1TSHRPOLBHTT
SCHEMBL18002356 0.70 CCR2 (0.52) CCR2ALDH1A1LMNANPSR1
SCHEMBL4797082 0.70 CCR2 (0.58) CCR2ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL18001829 0.68 PPARG (0.55) ALDH1A1LMNATP53PPARG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 — — EP disclosed
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
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 — — EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 — — US disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 — — WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 — — 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 (2 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 CCR2 955/4885CFTR 609/4885ALDH1A1 1066/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 CCR2 955/4885CFTR 609/4885ALDH1A1 1066/4885

“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.

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