SCHEMBL6958873

SCHEMBL6958873

CCOC(=O)CC1CCc2cc(OCc3ccc(C#N)cc3)ccc2O1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
MAOB P27338 8/20 0.46
MAOA P21397 2/20 0.45
RAB9A P51151 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
ACHE P22303 2/20 0.41
GPR84 Q9NQS5 1/20 0.41
PPARG P37231 2/20 0.40
KCNH2 Q12809 1/20 0.40
SMPD1 P17405 1/20 0.39
HTR6 P50406 1/20 0.39
SLC8A1 P32418 1/20 0.39
MMP1 P03956 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL10635827 0.88 ITGB3 (0.60) ITGB3ITGA2BCYP4F2CYP4A11PPARA
Hydrochloric Acid SCHEMBL6953799 0.84 ITGB3 (0.64) ITGB3ITGA2BRAB9ACYP4F2CYP4A11
Hydrochloric Acid SCHEMBL6953730 0.84 ITGB3 (0.77) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6953736 0.83 ITGB3 (0.55) ITGB3ITGA2BMAOBRAB9ACYP4F2
SCHEMBL6959354 0.80 ITGB3 (0.43) ITGB3ITGA2BCYP4F2CYP4A11PPARA
SCHEMBL10635876 0.80 HTR6 (0.61) ITGB3ITGA2BPPARAPPARDPPARG
SCHEMBL7302032 0.80 MAOB (0.46) MAOBMAOARAB9AACHEKCNH2
SCHEMBL6949063 0.79 ITGB3 (0.56) ITGB3ITGA2BRAB9A
SCHEMBL6948869 0.78 ITGB3 (0.56) ITGB3ITGA2BRAB9ACYP4F2CYP4A11
SCHEMBL6954907 0.78 CYP4F2 (0.48) CYP4F2CYP4A11

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 ITGB3 653/4885ITGA2B 294/4885MAOB 2042/4885

“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.