SCHEMBL4817068

SCHEMBL4817068

Cc1c(-c2nnn[nH]2)ccc2nc3c(c(C)c12)COc1ccccc1-3

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
ALPL P05186 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 10/20 0.37
PGR P06401 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ESRRB O95718 3/20 0.33
ESRRA P11474 3/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL4817120 0.75 THRB (0.39) THRBALPLKDM4EALDH1A1HSD17B10
SCHEMBL4814353 0.74 THRB (0.46) THRBALPLKDM4EALDH1A1HSD17B10
SCHEMBL4813066 0.73 ALDH1A1 (0.50) THRBALPLKDM4EALDH1A1HSD17B10
SCHEMBL6016756 0.71 ALPL (0.38) THRBALPLKDM4EALDH1A1HSD17B10
SCHEMBL11427034 0.68 ALPL (0.36) THRBALPLKDM4EALDH1A1HSD17B10
SCHEMBL4811094 0.67 KDM4E (0.48) THRBALPLKDM4EALDH1A1HSD17B10
SCHEMBL8811340 0.66 PGR (0.41) THRBALPLKDM4EALDH1A1HSD17B10
SCHEMBL11605734 0.65 MAOB (0.41) ALPLKDM4EALDH1A1HSD17B10MAPT
SCHEMBL14440820 0.63 POLB (0.34)
SCHEMBL10176736 0.63 ALPL (0.61) THRBALPLKDM4EALDH1A1HSD17B10

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 THRB 1487/4885ALPL 3464/4885KDM4E 4502/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP THRB 1487/4885ALPL 3464/4885KDM4E 4502/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP THRB 1487/4885ALPL 3464/4885KDM4E 4502/4885

“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.