SCHEMBL6957558

SCHEMBL6957558

CCOC(=O)CCC1(C)C=Cc2cc(OCc3ccc(C#N)cc3)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 2/20 0.40
SMPD1 P17405 1/20 0.39
ACHE P22303 2/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
XDH P47989 1/20 0.37
BACE1 P56817 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL8545396 0.92 PPARD (0.39) MAOBRAB9APPARGPPARDPPARA
SCHEMBL8545665 0.85 F2 (0.42) PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL6949114 0.84 F2 (0.43) PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL6949120 0.83 PPARG (0.42) RAB9APPARGPPARDPPARAMAPT
SCHEMBL6958002 0.79 BACE1 (0.40) PTGS1PTGS2XDHBACE1FFAR1
SCHEMBL6954418 0.78 MAOB (0.56) MAOBRAB9APPARGPPARDPPARA
SCHEMBL6958499 0.77 PPARG (0.45) MAOBRAB9APPARGPPARDPPARA
Hydrochloric Acid SCHEMBL6960084 0.73 ITGB3 (0.47)
Hydrochloric Acid SCHEMBL6960091 0.73 BACE1 (0.39) RAB9APPARGPPARDPPARAMAPT
SCHEMBL6948888 0.72 MAPT (0.47) RAB9AMAPTPTGS1PTGS2XDH

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 MAOB 2042/4885RAB9A 2000/4885PPARG 1582/4885

“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.