SCHEMBL4555957

SCHEMBL4555957

COc1cccc2c1OC[C@H]1[C@@H]2Nc2ccc(Br)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.32
RECQL P46063 1/20 0.31
HTR2B P41595 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
TERT O14746 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
SCHEMBL4564321 1.00 KMT2A (0.35) KMT2AMEN1NPC1POLBALDH1A1
SCHEMBL4555136 1.00 KMT2A (0.35) KMT2AMEN1NPC1POLBALDH1A1
SCHEMBL4864827 0.88 ALDH1A1 (0.36) ALDH1A1TP53KDM4EHTR2BLMNA
SCHEMBL4556424 0.88 ALDH1A1 (0.35) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL4555974 0.86 ALDH1A1 (0.38) NPC1POLBALDH1A1MAPTKDM4E
SCHEMBL4611705 0.86 ALDH1A1 (0.38) NPC1POLBALDH1A1MAPTKDM4E
SCHEMBL4866323 0.86 KIF11 (0.35) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL4555981 0.86 KIF11 (0.35) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL4555664 0.85 PGR (0.38) ALDH1A1KDM4EHTR2B
SCHEMBL14625428 0.85 PGR (0.38) ALDH1A1KDM4EHTR2B

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
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 4193/4885MEN1 4424/4885NPC1 13/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP KMT2A 4193/4885MEN1 4424/4885NPC1 13/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KMT2A 4193/4885MEN1 4424/4885NPC1 13/4885

“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.