SCHEMBL6958558

SCHEMBL6958558

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.42
CACNA1C Q13936 6/20 0.40
ALDH1A1 P00352 4/20 0.37
AKR1B1 P15121 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36
CACNA1F O60840 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 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
SCHEMBL6947170 0.78 ALDH1A1 (0.49) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL1168440 0.76 MAPT (0.50) MAPTKDM4ECACNA1CALDH1A1LMNA
SCHEMBL6953548 0.75 ABCB1 (0.42) KDM4EKMT2A
SCHEMBL6958499 0.74 PPARG (0.45) TLR3MAPTKDM4EALDH1A1GAA
SCHEMBL8536557 0.73 TLR3 (0.49) TLR3MAPTCACNA1CALDH1A1AKR1B1
SCHEMBL6948888 0.72 MAPT (0.47) TLR3MAPTKDM4EALDH1A1LMNA
SCHEMBL9201086 0.70 TLR3 (0.47) TLR3MAPTALDH1A1AKR1B1LMNA
SCHEMBL617977 0.69 TLR3 (0.45) TLR3MAPTALDH1A1AKR1B1LMNA
SCHEMBL9533164 0.69 TLR3 (0.48) TLR3MAPTKDM4EALDH1A1LMNA
SCHEMBL11470271 0.69 TLR3 (0.44) TLR3MAPTKDM4EALDH1A1AKR1B1

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 9 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
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP 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 TLR3 1387/4885MAPT 4377/4885KDM4E 4764/4885

“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.