SCHEMBL4564365

SCHEMBL4564365

CC1(C)c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N[C@H]2c3ccccc3OC[C@H]21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.34
NR1H2 P55055 4/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 3/20 0.33
NR1I2 O75469 2/20 0.33
KIF11 P52732 4/20 0.32
HSP90AA1 P07900 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
DRD1 P21728 1/20 0.31
RORA P35398 1/20 0.31

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
SCHEMBL4563276 0.87
SCHEMBL4569975 0.87 HCRTR2 (0.32) HSP90AA1
SCHEMBL4564402 0.87 HCRTR2 (0.32) HSP90AA1
SCHEMBL4628429 0.87 HCRTR2 (0.32) HSP90AA1
SCHEMBL4895077 0.86 NR1H2 (0.31) NR1H3NR1H2RORCKIF11HSP90AA1
SCHEMBL4565731 0.85 HTR2B (0.37) NR1H2L3MBTL1RORCHSP90AA1RORA
SCHEMBL4762543 0.85 KIF11 (0.31) KIF11
SCHEMBL4569672 0.85 KIF11 (0.32) NR1H3NR1H2RORCNR1I2KIF11
SCHEMBL4564232 0.85 HCRTR2 (0.38) NR1H3NR1H2KIF11TRPV1
SCHEMBL4566002 0.85 HCRTR2 (0.38) NR1H3NR1H2KIF11TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP NR1H3 7/4885NR1H2 6/4885ALDH1A1 1804/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP NR1H3 7/4885NR1H2 6/4885ALDH1A1 1804/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP NR1H3 7/4885NR1H2 6/4885ALDH1A1 1804/4885

“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.