SCHEMBL6947170

SCHEMBL6947170

CCOC(=O)CCC1(C)CC(=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 8/20 0.49
GAA P10253 7/20 0.49
HPGD P15428 5/20 0.49
CASP1 P29466 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 4/20 0.44
AKT1 P31749 1/20 0.43
KMT2A Q03164 1/20 0.41
GLA P06280 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38

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
SCHEMBL10639092 0.85 AKT1 (0.60) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL6958558 0.78 TLR3 (0.44) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL9635631 0.78 KDM4E (0.54) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL1168440 0.77 MAPT (0.50) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL6952737 0.74 KDM4E (0.46) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL6954418 0.74 MAOB (0.56) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL6948888 0.73 MAPT (0.47) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL9818795 0.73 MAPT (0.61) ALDH1A1KDM4EGAAHPGDCASP1
Hydrochloric Acid SCHEMBL6947178 0.73 KDM4E (0.52) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL6747761 0.72 KMT2A (0.47) ALDH1A1KDM4EGAAHPGDCASP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130342-A1 Glycoprotein llb/llla antagonists FISHER MATTHEW J (US) 2003-07-10 US disclosed
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP disclosed
US-6448269-B1 SUCH AS 6-(N-(4-(AMINOIMINOMETHYL)BENZOYL)AMINO)-3,4-DIHYDRO-4,4-DIMETHYL-2H-1 -BENZOPYRAN-2-YL)ACETIC ACID; INHIBITING PLATELET AGGREGATION OR FIBRINOGEN BINDING OR PREVENTING THROMBOSIS ELI LILLY AND COMPANY 2002-09-10 US disclosed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 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-20030130342-A1 Glycoprotein llb/llla antagonists SELL, SELPLG, LY96 ALDH1A1 1693/4885KDM4E 4764/4885GAA 910/4885

“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.