SCHEMBL6958499

SCHEMBL6958499

CCOC(=O)CCC1(C)CC(O)c2cc(OCc3ccc(C#N)cc3)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
MAOB P27338 7/20 0.44
RAB9A P51151 1/20 0.43
MAOA P21397 3/20 0.38
KCNE1 P15382 3/20 0.38
KCNQ1 P51787 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 1/20 0.37
SMPD1 P17405 1/20 0.37
TLR3 O15455 1/20 0.36
ACHE P22303 1/20 0.36
ABCC9 O60706 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL6954418 0.82 MAOB (0.56) PPARGPPARDPPARAMAOBRAB9A
SCHEMBL6953548 0.81 ABCB1 (0.42) KCNE1KCNQ1SIRT2CYP3A4ALOX15
SCHEMBL6957558 0.77 MAOB (0.45) PPARGPPARDPPARAMAOBRAB9A
SCHEMBL8545396 0.70 PPARD (0.39) PPARGPPARDPPARAMAOBRAB9A
SCHEMBL7302032 0.69 MAOB (0.46) MAOBRAB9AMAOASMPD1ACHE
SCHEMBL6958873 0.69 ITGB3 (0.55) PPARGPPARDPPARAMAOBRAB9A
Hydrochloric Acid SCHEMBL6947178 0.67 KDM4E (0.52) PPARGPPARDPPARAMAOBKDM4E
SCHEMBL9195045 0.67 ABCB1 (0.46) KCNE1KCNQ1CYP3A4ABCC9KDM4E
SCHEMBL6937137 0.67 KCNE1 (0.55) MAOBRAB9AMAOAKCNE1KCNQ1
SCHEMBL7329889 0.67 RAB9A (0.46) MAOBRAB9ACYP3A4MAPTSMPD1

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 6 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

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 PPARG 1582/4885PPARD 1718/4885PPARA 805/4885

“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.