SCHEMBL4814065

SCHEMBL4814065

O=C(O)c1ccc2c(c1)OCC1Cc3ccccc3NC21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TBXAS1 P24557 2/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
DYRK2 Q92630 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRD5A2 P31213 2/20 0.35
SRD5A1 P18405 1/20 0.35
ESR1 P03372 1/20 0.34
PABPC1 P11940 1/20 0.34
PLK1 P53350 1/20 0.34
TBXA2R P21731 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
SCHEMBL4860322 0.92 GAA (0.42) LTB4RLTB4R2GAAMAPTTBXAS1
SCHEMBL4445356 0.80 MAPT (0.37) LTB4RLTB4R2GAAMAPT
SCHEMBL14967154 0.67 LTB4R (0.53) LTB4RLTB4R2GAAMAPTTBXAS1
SCHEMBL4866626 0.67 DRD2 (0.42)
SCHEMBL31040745 0.66 LTB4R (0.53) LTB4RLTB4R2TBXAS1ALDH1A1MAPK1
SCHEMBL4863367 0.66 GAA (0.36) GAAMAPT
SCHEMBL18283983 0.65 RARA (0.55) LTB4RLTB4R2GAAALDH1A1MAPK1
SCHEMBL30694269 0.63 RARA (0.53) LTB4RLTB4R2ALDH1A1MAPK1RARA
SCHEMBL6880865 0.62 TDP1 (0.58) GAAALOX5ALDH1A1MAPK1TDP1
SCHEMBL17957424 0.62 PRCP (0.44) LTB4RLTB4R2GAAALOX5ALDH1A1

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 LTB4R 883/4885LTB4R2 1054/4885GAA 441/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP LTB4R 883/4885LTB4R2 1054/4885GAA 441/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP LTB4R 883/4885LTB4R2 1054/4885GAA 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.