SCHEMBL4598623

SCHEMBL4598623

COc1cccc2c1SC[C@@H]1[C@@H]2Nc2ccc(C(C)C)cc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KIF11 P52732 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4816506 1.00 HPGD (0.33) HPGDHDAC4HDAC8KDM4EALDH1A1
SCHEMBL4810522 0.87 HSD11B1 (0.38) HPGDKDM4EALDH1A1MAPTHTT
SCHEMBL4598285 0.84 ALDH1A1 (0.37) HPGDKDM4EALDH1A1MAPTHTT
SCHEMBL4814159 0.84 HDAC4 (0.33) HPGDHDAC4HDAC8KIF11GAA
SCHEMBL4445324 0.84 HDAC4 (0.33) HPGDHDAC4HDAC8KIF11GAA
SCHEMBL4816710 0.82 KIF11 (0.36) KIF11
SCHEMBL4556342 0.82 F2 (0.33) MAPT
SCHEMBL4813240 0.82 MAPT (0.35) ALDH1A1MAPTMAPK1
SCHEMBL4817561 0.80 RORC (0.31)
SCHEMBL4598627 0.80 GAA (0.38) HPGDALDH1A1MAPTGAA

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 HPGD 1269/4885HDAC4 2352/4885HDAC8 2355/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HPGD 1269/4885HDAC4 2352/4885HDAC8 2355/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HPGD 1269/4885HDAC4 2352/4885HDAC8 2355/4885

“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.