SCHEMBL4890545

SCHEMBL4890545

COC(=O)c1cccc(-c2ccc3c(c2)C(C)(C)[C@H]2COc4cccc(OC)c4[C@H]2N3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
F10 P00742 1/20 0.37
F11 P03951 1/20 0.37
F7 P08709 1/20 0.37
ERN1 O75460 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
PDE4D Q08499 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACLY P53396 1/20 0.34
ROCK2 O75116 3/20 0.34
AKT1 P31749 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL4566784 0.88 RARA (0.43) MEN1KMT2APGRPDE4D
SCHEMBL4612431 0.87 ADRA1D (0.35) PGRROCK2AKT1
SCHEMBL4864199 0.87 PDE4A (0.39) F10F11F7ERN1PDE4D
SCHEMBL4896422 0.86 MAPT (0.41) PDK2MEN1NPC1RAB9AKMT2A
SCHEMBL4564297 0.85 PGR (0.35) NPC1RAB9AKMT2APGRROCK2
SCHEMBL4555633 0.85 PGR (0.38) PGRROCK2
SCHEMBL4566100 0.85 KMT2A (0.36) MEN1NPC1RAB9AKMT2APGR
SCHEMBL4555973 0.84 MAPT (0.36) F10F11F7CA12CA9
SCHEMBL4611328 0.83 F10 (0.36) F10F11F7MEN1KMT2A
SCHEMBL4861218 0.82 PGR (0.42) PGR

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 PDK2 1458/4885F10 4318/4885F11 4292/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP PDK2 1458/4885F10 4318/4885F11 4292/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PDK2 1458/4885F10 4318/4885F11 4292/4885

“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.