SCHEMBL4438653

SCHEMBL4438653

COc1ccc(SCC=C(C)C)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.50
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ALDH1A1 P00352 6/20 0.44
METAP2 P50579 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP19A1 P11511 2/20 0.38

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
SCHEMBL4447280 0.84 TGM2 (0.37) ERN1MAPTLMNAPOLBCYP1A2
SCHEMBL4439253 0.79 ERN1 (0.45) ERN1ALDH1A1MAPTLMNAPOLB
SCHEMBL4439793 0.77 LMNA (0.47) ERN1TRIM24TRIM33ALDH1A1METAP2
SCHEMBL8624080 0.76 ERN1 (0.59) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL30138984 0.76 ERN1 (0.56) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL4441117 0.73 ERN1 (0.39) ERN1METAP2MAPTLMNAPOLB
SCHEMBL4442738 0.72 KDM4E (0.56) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL16495093 0.72 ERN1 (0.50) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL6340605 0.71 MTNR1A (0.55) METAP2RAB9AMTNR1AMTNR1B
SCHEMBL4435395 0.70 LMNA (0.41) ERN1TRIM24TRIM33ALDH1A1METAP2

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 ERN1 2078/4885TRIM24 2100/4885TYR 4870/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ERN1 2078/4885TRIM24 2100/4885TYR 4870/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ERN1 2078/4885TRIM24 2100/4885TYR 4870/4885

“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.