SCHEMBL4864529

SCHEMBL4864529

COc1ccc(Br)c2c1OCC1C2Nc2ccc(C(C)=O)cc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPER1 Q99527 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GPR183 P32249 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 8/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.33
AR P10275 1/20 0.33
KMT2A Q03164 4/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 3/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 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
SCHEMBL4863542 0.93 ALDH1A1 (0.33) ALDH1A1MAPTARMAPK1POLB
SCHEMBL4884506 0.90 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKMT2AMAPK1
SCHEMBL4762777 0.82
SCHEMBL4566100 0.81 KMT2A (0.36) GPER1NPC1RAB9AGPR183L3MBTL1
SCHEMBL4556127 0.79 GHSR (0.32) KMT2AMEN1GAA
SCHEMBL4555663 0.76 MAPT (0.38) L3MBTL1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL5666994 0.76 AR (0.36) ALDH1A1KDM4EMAPTARKMT2A
SCHEMBL4598406 0.76 AR (0.36) ALDH1A1KDM4EMAPTARKMT2A
SCHEMBL4556328 0.76 AR (0.36) ALDH1A1KDM4EMAPTARKMT2A
SCHEMBL4554178 0.76 IRAK4 (0.35) NPC1RAB9AALDH1A1KDM4ELMNA

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 GPER1 815/4885NPC1 13/4885RAB9A 1328/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP GPER1 815/4885NPC1 13/4885RAB9A 1328/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP GPER1 815/4885NPC1 13/4885RAB9A 1328/4885

“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.