SCHEMBL4439338

SCHEMBL4439338

CC(C)=CCOc1c(C)ccc(C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
CYP1B1 Q16678 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ABCB1 P08183 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.37
BACE1 P56817 1/20 0.37
MTNR1A P48039 2/20 0.37
TRPA1 O75762 1/20 0.37
PTGES O14684 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4447175 0.78 ALDH1A1 (0.43) PTGS1PTGS2CYP1B1ALDH1A1ABCB1
SCHEMBL14042532 0.76 PTGDR2 (0.45) ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4441533 0.68 ERN1 (0.46) PTGS1PTGS2ALDH1A1CYP3A4MTNR1A
SCHEMBL4437245 0.68 TRPA1 (0.50) CYP3A4MTNR1ATRPA1PTGESMAPT
SCHEMBL10269260 0.67 MAPT (0.49) ALDH1A1LMNAGAAMTNR1ATRPA1
SCHEMBL4438654 0.67 ERN1 (0.49) CYP1B1ALDH1A1ABCB1CYP3A4LMNA
SCHEMBL4598270 0.67 ERN1 (0.45) PTGS1PTGS2CYP1B1ALDH1A1ABCB1
SCHEMBL3420520 0.66 ALDH1A1 (0.43) ALDH1A1CYP3A4LMNAACHEMAPT
SCHEMBL31562598 0.66 POLB (0.47) GAAKDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL4761675 0.66 MAPT (0.47) ALDH1A1CYP3A4BACE1MAPTKDM4E

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 PTGS1 1006/4885PTGS2 1306/4885CYP1B1 1735/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP PTGS1 1006/4885PTGS2 1306/4885CYP1B1 1735/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PTGS1 1006/4885PTGS2 1306/4885CYP1B1 1735/4885

“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.