SCHEMBL6029685

SCHEMBL6029685

CCOC(=O)CCc1cccc2cc[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CDYL Q9Y232 1/20 0.44
BCHE P06276 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL28597311 0.86 MAPK8 (0.49) BCHEMAPK8MAPK9MAPK10KEAP1
SCHEMBL21274659 0.80 BCHE (0.50) BCHEMAPK8MAPK9MAPK10KEAP1
SCHEMBL14774643 0.78 SMN1; SMN2 (0.59) CYP4F2CYP4A11ALDH1A1GAACDYL
SCHEMBL14833892 0.77 KEAP1 (0.44) BCHEMAPK8MAPK9MAPK10KEAP1
SCHEMBL6766321 0.77 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL69660 0.77 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAACDYL
SCHEMBL2302173 0.77 CYP4F2 (0.69) CYP4F2CYP4A11ALDH1A1GAACDYL
SCHEMBL1452618 0.75 AHR (0.47) BCHEKEAP1PDPK1
SCHEMBL5925736 0.75 KEAP1 (0.42) BCHEMAPK8MAPK9MAPK10KEAP1
SCHEMBL593512 0.75 AHR (0.50) BCHEKEAP1PDPK1

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 CYP4F2 3047/4885CYP4A11 1262/4885ALDH1A1 450/4885

“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.