SCHEMBL3569475

SCHEMBL3569475

CCN(C[C@@H](O)c1cccc(Cl)c1)c1ccc(C(OC(c2ccc(N(CC)C[C@H](O)c3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.61
NR1H3 Q13133 15/20 0.61
CETP P11597 2/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL2080813 0.84 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL2080817 0.84 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL2080834 0.79 NR1H2 (0.66) NR1H2NR1H3CETP
SCHEMBL1382656 0.77 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1385634 0.77 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1382658 0.77 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL29037291 0.71 NR1H2 (0.67) NR1H2NR1H3CETPSLC6A2SLC6A4
SCHEMBL8913954 0.69 NR1H2 (0.56) NR1H2NR1H3CETPSLC6A2SLC6A4
SCHEMBL20261940 0.68 NR1H2 (0.63) NR1H2NR1H3SLC6A2SLC6A4
SCHEMBL10717527 0.68 AOC3 (0.53) NR1H2NR1H3CETPSLC6A2SLC6A4

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-20100004297-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES DEHMLOW HENRIETTA 2010-01-07 US claimed

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-20100004297-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES NR1H3, NR1H2, NR1I2 NR1H2 2/4885NR1H3 1/4885CETP 81/4885

“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.