SCHEMBL4894544

SCHEMBL4894544

COc1cccc2c1[C@H]1Nc3ccc(-c4ccc(/C=C/C(=O)O)cc4)cc3C(C)(C)[C@H]1CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.37
HDAC2 Q92769 1/20 0.37
RARB P10826 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL4566784 0.87 RARA (0.43) RARBTDP1
SCHEMBL4864334 0.87 ADRA1D (0.35)
SCHEMBL4612431 0.87 ADRA1D (0.35)
SCHEMBL4555633 0.84 PGR (0.38)
SCHEMBL4564297 0.84 PGR (0.35) ALDH1A1MAPTKDM4EHPGD
SCHEMBL4860872 0.84 FFAR1 (0.40) LTB4R
SCHEMBL4565861 0.83 MAPT (0.34) MAPTHPGD
SCHEMBL4890545 0.82 PDK2 (0.37) CA12CA1CA2CA9ALOX5
SCHEMBL4896422 0.82 MAPT (0.41) ALDH1A1MAPTKDM4ETDP1
SCHEMBL4555973 0.82 MAPT (0.36) RARBMAPTKDM4ETDP1CA12

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 5 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
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

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 HDAC11 2668/4885HDAC2 3109/4885RARB 1046/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HDAC11 2668/4885HDAC2 3109/4885RARB 1046/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HDAC11 2668/4885HDAC2 3109/4885RARB 1046/4885

“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.