SCHEMBL4611328

SCHEMBL4611328

COc1cccc2c1C1Nc3ccc(C(N)=O)cc3C(C)(C)C1CO2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.36
F11 P03951 7/20 0.36
F7 P08709 7/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
NSD2 O96028 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PARP1 P09874 1/20 0.32
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
AVPR1A P37288 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 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
SCHEMBL4864199 0.93 PDE4A (0.39) F10F11F7IRAK4NSD2
SCHEMBL4566100 0.92 KMT2A (0.36) ALDH1A1POLBMAPTTSHRMEN1
SCHEMBL4555973 0.91 MAPT (0.36) F10F11F7MAPTTSHR
SCHEMBL4863672 0.91 MAPT (0.36) F10F11F7MAPTTSHR
SCHEMBL4439335 0.89 LMNA (0.34) F10POLB
SCHEMBL4814831 0.89 LMNA (0.34) F10POLB
SCHEMBL4566784 0.86 RARA (0.43) AVPR1AMEN1KMT2A
SCHEMBL4811546 0.85 NPC1 (0.39) ALDH1A1POLB
SCHEMBL14625088 0.85 NPC1 (0.39) ALDH1A1POLB
SCHEMBL4597471 0.85 ACACB (0.39) PARP1ACACBPOLBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
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
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP 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
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO 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 F10 4318/4885F11 4292/4885F7 4825/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP F10 4318/4885F11 4292/4885F7 4825/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP F10 4318/4885F11 4292/4885F7 4825/4885

“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.