SCHEMBL4447447

SCHEMBL4447447

CC(C)=CCSc1c(C)cccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ERN1 O75460 4/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
METAP2 P50579 2/20 0.36
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ICMT O60725 1/20 0.33
GMNN O75496 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL4435395 0.84 LMNA (0.41) TSHRALDH1A1ERN1TLR2TLR1
SCHEMBL4442723 0.83 ERN1 (0.50) TSHRALDH1A1ERN1TLR2TLR1
SCHEMBL4440982 0.80 ERN1 (0.55) ALDH1A1ERN1TLR2TLR1TLR6
SCHEMBL28764582 0.79 ALDH1A1 (0.46) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL4442713 0.78 TLR2 (0.42) ALDH1A1ERN1TLR2TLR1TLR6
SCHEMBL29984131 0.75 ALDH1A1 (0.48) TSHRALDH1A1ERN1TLR2TLR1
SCHEMBL4439793 0.75 LMNA (0.47) TSHRALDH1A1ERN1TLR2TLR1
SCHEMBL7757773 0.73 ALDH1A1 (0.56) TSHRALDH1A1ERN1TLR2TLR1
SCHEMBL28764584 0.71 ALDH1A1 (0.44) TSHRALDH1A1ERN1TLR2TLR1
SCHEMBL4447175 0.70 ALDH1A1 (0.43) TSHRALDH1A1ERN1TLR2TLR1

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 TSHR 3101/4885ALDH1A1 1804/4885ERN1 2078/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP TSHR 3101/4885ALDH1A1 1804/4885ERN1 2078/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TSHR 3101/4885ALDH1A1 1804/4885ERN1 2078/4885

“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.