SCHEMBL4811094

SCHEMBL4811094

Cc1cc2nc3c(c(C)c2c(C)c1C(=O)O)COc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALPL P05186 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.41
MAPT P10636 5/20 0.40
DHODH Q02127 4/20 0.39
TSHR P16473 1/20 0.39
PDE10A Q9Y233 1/20 0.39
DHFR P00374 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ESRRB O95718 1/20 0.36
ESRRA P11474 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4813066 0.82 ALDH1A1 (0.50) KDM4EALDH1A1ALPLHSD17B10THRB
SCHEMBL4814353 0.76 THRB (0.46) KDM4EALDH1A1ALPLHSD17B10THRB
SCHEMBL4817120 0.68 THRB (0.39) KDM4EALDH1A1ALPLHSD17B10THRB
SCHEMBL4817068 0.67 THRB (0.38) KDM4EALDH1A1ALPLHSD17B10THRB
SCHEMBL10146614 0.66 THRB (0.52) THRBMAPTRXFP1
SCHEMBL646283 0.66 KDM4E (1.00) KDM4EALDH1A1ALPLHSD17B10THRB
SCHEMBL4816606 0.65 THRB (0.47) KDM4EALDH1A1ALPLHSD17B10THRB
SCHEMBL28815537 0.64 ESRRB (0.56) KDM4EALDH1A1ALPLHSD17B10THRB
SCHEMBL9583451 0.64 ACHE (0.62) KDM4EALDH1A1THRB
SCHEMBL2614378 0.64 KDM4E (0.53) KDM4EALDH1A1ALPLHSD17B10THRB

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 KDM4E 4502/4885ALDH1A1 1804/4885ALPL 3464/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP KDM4E 4502/4885ALDH1A1 1804/4885ALPL 3464/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KDM4E 4502/4885ALDH1A1 1804/4885ALPL 3464/4885

“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.