SCHEMBL4447175

SCHEMBL4447175

CC(C)=CCOc1c(C)cccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ERN1 O75460 2/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SRC P12931 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1B1 Q16678 2/20 0.36
SCN8A Q9UQD0 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4441533 0.84 ERN1 (0.46) ALDH1A1CA1CA2ERN1TLR2
SCHEMBL4438654 0.83 ERN1 (0.49) ALDH1A1CA1CA2ERN1TLR2
SCHEMBL4598936 0.82 TLR2 (0.55) ALDH1A1CA1CA2ERN1TLR2
SCHEMBL23748226 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCA1CA2SRC
SCHEMBL30593089 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCA1CA2SRC
SCHEMBL4445460 0.81 TLR2 (0.43) ALDH1A1CA1CA2ERN1TLR2
SCHEMBL1253501 0.78 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA2ERN1
SCHEMBL4439338 0.78 PTGS1 (0.39) ALDH1A1TSHRALOX5SMN1; SMN2CYP1B1
SCHEMBL3432512 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2ERN1
SCHEMBL4746689 0.76 PTGDR2 (0.57) ALDH1A1TSHRCA1CA2PTGDR2

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 ALDH1A1 1804/4885TSHR 3101/4885CA1 4862/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ALDH1A1 1804/4885TSHR 3101/4885CA1 4862/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885TSHR 3101/4885CA1 4862/4885

“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.