SCHEMBL1242844

SCHEMBL1242844

C#COC(=O)CC(=O)OC#C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 1/20 0.32

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
SCHEMBL13550012 0.84
SCHEMBL14032355 0.81 TSHR (0.38) TSHR
SCHEMBL8585590 0.79
SCHEMBL1712975 0.77 TSHR (0.38) TSHR
SCHEMBL11704705 0.77
SCHEMBL10554462 0.77
SCHEMBL1551559 0.77
SCHEMBL15463564 0.77
SCHEMBL11219400 0.77
SCHEMBL7056732 0.76 TSHR (0.62) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057337-B1 4H-BENZO(4,5)CYCLOHEPTA(1,2-B)FURAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES Delbarre, Bernard (FR) 1984-03-14 EP claimed
US-10358419-B2 1,3-dipolar [70]fulleropyrrolidinium iodide derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-20180037548-A1 1,3-DIPOLAR [70]FULLEROPYRROLIDINIUM IODIDE DERIVATIVES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-08 US disclosed
WO-2016145134-A1 1,3-DIPOLAR [70]FULLEROPYRROLIDINIUM IODIDE DERIVATIVES ECHEGOYEN LUIS A (US) 2016-09-15 WO disclosed
EP-2259785-B1 FULLERENE THERAPIES FOR INFLAMMATION LUNA INNOVATIONS INC (US) 2015-12-23 EP disclosed
US-8680125-B2 Fullerene therapies for inflammation LUNA INNOVATIONS INCORPORATED (US) 2014-03-25 US disclosed
US-8563585-B2 2013-10-22 US disclosed
US-20110251158-A1 FULLERENE THERAPIES FOR INFLAMMATION AND INHIBITION OF BUILD-UP OF ARTERIAL PLAQUE LUNA INNOVATIONS INCORPORATED (US) 2011-10-13 US disclosed
US-20110028522-A1 FULLERENE THERAPIES FOR INFLAMMATION LUNA INNOVATIONS INCORPORATED (US) 2011-02-03 US disclosed
EP-2259785-A2 FULLERENE THERAPIES FOR INFLAMMATION Luna Innovations Incorporated (US) 2010-12-15 EP disclosed
WO-2009114088-A2 FULLERENE THERAPIES FOR INFLAMMATION LUNA INNOVATIONS INCORPORATED (US) 2009-09-17 WO disclosed
US-4383995-A [4,5] 4H-Benzo [1,2-b] cyclohepta furan derivatives and application thereof as anti-fibrillating agents DELBARRE B (FR) 1983-05-17 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 (3 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-20180037548-A1 1,3-DIPOLAR [70]FULLEROPYRROLIDINIUM IODIDE DERIVATIVES CTNND1, INA, CTNNB1 MGAM 4843/4885GAA 4661/4885SI 4763/4885
US-10358419-B2 1,3-dipolar [70]fulleropyrrolidinium iodide derivatives CTNND1, INA, CTNNB1 MGAM 4843/4885GAA 4679/4885SI 4771/4885
US-20110251158-A1 FULLERENE THERAPIES FOR INFLAMMATION AND INHIBITION OF BUILD-UP OF ARTERIAL PLAQUE IL1B, IL1A, CD68 MGAM 4348/4885GAA 2992/4885SI 4489/4885

“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.