SCHEMBL6029923

SCHEMBL6029923

COC(=O)C(=O)c1c[nH]c2c(CCO)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
NR4A2 P43354 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALOX5 P09917 1/20 0.41
UBE2N P61088 1/20 0.41
BRPF1 P55201 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6029456 0.92 ALDH1A1 (0.47) ALDH1A1LMNAHTTNR4A2MEN1
SCHEMBL9950287 0.87 ALDH1A1 (0.47) ALDH1A1LMNAHTTNR4A2MEN1
SCHEMBL6324921 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHTTNR4A2MEN1
SCHEMBL6030881 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHTTNR4A2MEN1
SCHEMBL6327871 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHTTNR4A2MEN1
SCHEMBL989756 0.79 NR4A2 (0.73) ALDH1A1LMNAHTTNR4A2NPC1
SCHEMBL6325276 0.78 ALDH1A1 (0.43) ALDH1A1LMNAHTTNR4A2MEN1
SCHEMBL6029339 0.78 ALDH1A1 (0.62) ALDH1A1HTTNR4A2MEN1KMT2A
SCHEMBL7210602 0.78 NR4A2 (0.51) NR4A2RAB9ABRPF1
SCHEMBL14486971 0.78 NR4A2 (0.62) ALDH1A1LMNAHTTNR4A2MAPT

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-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 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 (1 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 ALDH1A1 450/4885LMNA 1198/4885HTT 2855/4885

“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.