SCHEMBL4866562

SCHEMBL4866562

COc1cccc2c1[C@H]1Nc3ccc(Br)cc3C(C)(C)[C@H]1CO2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
NR3C1 P04150 4/20 0.33
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
PGR P06401 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
SCHEMBL4855306 0.88 NR3C1 (0.35) HSP90AA1NR3C1PGR
SCHEMBL4564249 0.88 NR3C1 (0.31) NR3C1PGR
SCHEMBL4556232 0.86 CYP19A1 (0.34) MEN1KMT2ANPC1LMNAHTT
SCHEMBL4865539 0.86 CYP19A1 (0.34) MEN1KMT2ANPC1LMNAHTT
SCHEMBL4864334 0.86 ADRA1D (0.35) NR3C1PGR
SCHEMBL4864081 0.86 HSD11B1 (0.33) HSP90AA1NR3C1
SCHEMBL4564288 0.86 HDAC4 (0.33) NR3C1
SCHEMBL4858243 0.86 HDAC4 (0.33) NR3C1
SCHEMBL4608633 0.86 HSD11B1 (0.33) HSP90AA1NR3C1
SCHEMBL4612431 0.86 ADRA1D (0.35) NR3C1PGR

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 HSP90AA1 2091/4885MEN1 4424/4885KMT2A 4193/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HSP90AA1 2091/4885MEN1 4424/4885KMT2A 4193/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HSP90AA1 2091/4885MEN1 4424/4885KMT2A 4193/4885

“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.