SCHEMBL4858243

SCHEMBL4858243

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KIF11 P52732 1/20 0.33
NR3C1 P04150 4/20 0.32
CYP19A1 P11511 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TACR1 P25103 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL4564288 1.00 HDAC4 (0.33) HDAC4HDAC8KIF11NR3C1CYP19A1
SCHEMBL4855306 0.87 NR3C1 (0.35) NR3C1
SCHEMBL4564249 0.86 NR3C1 (0.31) NR3C1
SCHEMBL4866562 0.86 HSP90AA1 (0.34) NR3C1
SCHEMBL4556232 0.84 CYP19A1 (0.34) CYP19A1GAAHPGDADRA2AADRA2B
SCHEMBL4865539 0.84 CYP19A1 (0.34) CYP19A1GAAHPGDADRA2AADRA2B
SCHEMBL4608633 0.84 HSD11B1 (0.33) NR3C1
SCHEMBL4555981 0.84 KIF11 (0.35) HDAC4HDAC8KIF11GAAHPGD
SCHEMBL4864081 0.84 HSD11B1 (0.33) NR3C1
SCHEMBL4866323 0.84 KIF11 (0.35) HDAC4HDAC8KIF11GAAHPGD

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 7 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
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 HDAC4 2352/4885HDAC8 2355/4885KIF11 4094/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HDAC4 2352/4885HDAC8 2355/4885KIF11 4094/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HDAC4 2352/4885HDAC8 2355/4885KIF11 4094/4885

“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.