SCHEMBL4566100

SCHEMBL4566100

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
AR P10275 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
GPER1 Q99527 2/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
GPR183 P32249 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 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
SCHEMBL4555973 0.93 MAPT (0.36) MAPTKDM4ETSHR
SCHEMBL4863672 0.93 MAPT (0.36) MAPTKDM4ETSHR
SCHEMBL4611328 0.92 F10 (0.36) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL4814831 0.91 LMNA (0.34) ARPOLBLMNAPGR
SCHEMBL4439335 0.91 LMNA (0.34) ARPOLBLMNAPGR
SCHEMBL4566784 0.88 RARA (0.43) KMT2AMEN1LMNAPGR
SCHEMBL4864199 0.87 PDE4A (0.39)
SCHEMBL4811546 0.87 NPC1 (0.39) ALDH1A1KDM4EPOLBGAANPC1
SCHEMBL14625088 0.87 NPC1 (0.39) ALDH1A1KDM4EPOLBGAANPC1
SCHEMBL4597471 0.87 ACACB (0.39) KMT2AMAPTMEN1PKMPOLB

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 11 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
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
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 KMT2A 4193/4885AR 3609/4885ALDH1A1 1804/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP KMT2A 4193/4885AR 3609/4885ALDH1A1 1804/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KMT2A 4193/4885AR 3609/4885ALDH1A1 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.