SCHEMBL6029944

SCHEMBL6029944

COC(=O)C(=O)c1c[nH]c2cc(C)ccc12

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.73
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
CREBBP Q92793 1/20 0.45
IGF1R P08069 2/20 0.45
TUBB1 Q9H4B7 1/20 0.45
MET P08581 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HTR2C P28335 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL6030284 0.88 NR4A2 (0.73) NR4A2RAB9ANPC1CASP3SENP7
SCHEMBL6588128 0.84 NR4A2 (1.00) NR4A2RAB9ANPC1L3MBTL1MAPT
SCHEMBL6029910 0.84 MAPT (0.66) NR4A2RAB9ANPC1L3MBTL1MAPT
SCHEMBL6334125 0.84 NR4A2 (0.74) NR4A2MAPT
SCHEMBL6029933 0.84 NR4A2 (0.57) NR4A2MAPTCREBBPTUBB1
SCHEMBL6030601 0.84 NR4A2 (0.51) NR4A2MAPTKDM4ECREBBPTUBB1
SCHEMBL6030624 0.83 NR4A2 (0.51) NR4A2MAPTCREBBPTUBB1
SCHEMBL1558890 0.83 NR4A2 (0.65) NR4A2RAB9ANPC1CASP3SENP7
SCHEMBL6332786 0.82 NPC1 (0.61) NR4A2RAB9ANPC1MAPTCREBBP
SCHEMBL23551182 0.81 NR4A2 (0.63) NR4A2RAB9ANPC1CASP3SENP7

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 3 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

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 NR4A2 1135/4885RAB9A 2937/4885NPC1 1412/4885

“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.