SCHEMBL4866034

SCHEMBL4866034

COc1cccc2c1C1Nc3ccc(C(F)(F)F)cc3C(C)(C)C1CS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
KIF11 P52732 3/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
ESRRA P11474 3/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDGFRB P09619 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYBB P04839 1/20 0.31
NOX3 Q9HBY0 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
SCHEMBL4814715 0.91 RORC (0.31) NR3C1PGRNR3C2AR
SCHEMBL4813632 0.88 CREBBP (0.35) PGRHTR2ANOX1
SCHEMBL4813625 0.87 HCRTR1 (0.38) KIF11HTR2ACYP3A4HCRTR1HCRTR2
SCHEMBL4815232 0.83 CREBBP (0.37) TP53MAPTSMN1; SMN2HTR2ATSHR
SCHEMBL4814159 0.83 HDAC4 (0.33) KIF11SMN1; SMN2
SCHEMBL4445324 0.83 HDAC4 (0.33) KIF11SMN1; SMN2
SCHEMBL4816048 0.82 KMT2A (0.34) PGRARTP53MAPTLMNA
SCHEMBL4555043 0.82 MEN1 (0.33) TP53MAPTLMNATSHRKMT2A
SCHEMBL4556462 0.82 MAPT (0.36) MAPTLMNATSHRKMT2A
SCHEMBL4445605 0.81 MKNK1 (0.33) TP53MAPTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NR3C1 1692/4885PGR 3836/4885NR3C2 1416/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP NR3C1 1692/4885PGR 3836/4885NR3C2 1416/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP NR3C1 1692/4885PGR 3836/4885NR3C2 1416/4885

“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.