SCHEMBL4611608

SCHEMBL4611608

CCOc1cccc2c1OCC1C2Nc2ccc(C(N)=O)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
LIN28A Q9H9Z2 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
SSTR5 P35346 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL4566123 0.93 KMT2A (0.38) MAPK1MAPTGAAPOLBLIN28A
SCHEMBL4554178 0.90 IRAK4 (0.35) MAPK1MAPTGAAPOLBKMT2A
SCHEMBL4555635 0.85 F10 (0.34) TSHR
SCHEMBL4556213 0.84 GAA (0.34) GAATSHRCYP11B1CYP11B2
SCHEMBL4437282 0.82 MAPK1 (0.36) MAPK1MAPTGAAPOLBLIN28A
SCHEMBL4556454 0.82 HTR1A (0.37) MAPK1MAPTGAAKMT2AMEN1
SCHEMBL4564292 0.81 F2 (0.34) MAPK1MAPTGAATP53ALDH1A1
SCHEMBL4555663 0.81 MAPT (0.38) MAPK1MAPTGAAPOLBKMT2A
SCHEMBL4566883 0.81 MAPK1 (0.34) MAPK1KMT2AMEN1LMNANPSR1
Quinoline SCHEMBL4716730 0.78 KMT2A (0.33) MAPTKMT2AMEN1TP53

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
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
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 MAPK1 3135/4885MAPT 4361/4885GAA 441/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPK1 3135/4885MAPT 4361/4885GAA 441/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPK1 3135/4885MAPT 4361/4885GAA 441/4885

“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.