SCHEMBL4598627

SCHEMBL4598627

COc1cccc2c1SCC1C2Nc2ccc(CC(=O)O)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA5A P35218 1/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
FABP4 P15090 2/20 0.33
HNF4A P41235 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL4813240 0.83 MAPT (0.35) ALDH1A1TDP1TP53MAPTKMT2A
SCHEMBL4817107 0.83
SCHEMBL4810522 0.83 HSD11B1 (0.38) GAAALDH1A1TSHRTDP1TP53
SCHEMBL4556008 0.82 PSMB5 (0.39) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4556346 0.81
SCHEMBL4817855 0.80 ALDH1A1 (0.37) GAAALDH1A1TSHRTDP1TP53
SCHEMBL4598285 0.80 ALDH1A1 (0.37) GAAALDH1A1TSHRTDP1TP53
SCHEMBL4816506 0.80 HPGD (0.33) GAAALDH1A1MAPTHPGD
SCHEMBL4598623 0.80 HPGD (0.33) GAAALDH1A1MAPTHPGD
SCHEMBL4556342 0.80 F2 (0.33) TP53MAPT

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 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
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 GAA 441/4885ALDH1A1 1804/4885TSHR 3101/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP GAA 441/4885ALDH1A1 1804/4885TSHR 3101/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP GAA 441/4885ALDH1A1 1804/4885TSHR 3101/4885

“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.