SCHEMBL2828911

SCHEMBL2828911

C#CCOC(=O)C#CC(=O)OCC#C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
TSHR P16473 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.36
GSTP1 P09211 1/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL10010445 0.85
SCHEMBL3203754 0.83
SCHEMBL2019603 0.79 NPC1 (0.35) NPC1
SCHEMBL1401583 0.77 NPC1 (0.48) NPC1TSHRCA12CA1CA2
SCHEMBL291486 0.77 NPC1 (0.48) NPC1TSHRCA12CA1CA2
SCHEMBL291487 0.74
SCHEMBL2241578 0.74
SCHEMBL133211 0.72
SCHEMBL8293300 0.72
SCHEMBL868739 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9114377-B2 High charge density structures, including carbon-based nanostructures and applications thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-08-25 US disclosed
US-20150202606-A1 HIGH CHARGE DENSITY STRUCTURES, INCLUDING CARBON-BASED NANOSTRUCTURES AND APPLICATIONS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-23 US disclosed
US-8735313-B2 High charge density structures, including carbon-based nanostructures and applications thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-27 US disclosed
US-8735313-B2 High charge density structures, including carbon-based nanostructures and applications thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-27 US disclosed
WO-2010123482-A2 HIGH CHARGE DENSITY STRUCTURES, INCLUDING CARBON-BASED NANOSTRUCTURES AND APPLICATIONS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-10-28 WO disclosed
US-20100179054-A1 HIGH CHARGE DENSITY STRUCTURES, INCLUDING CARBON-BASED NANOSTRUCTURES AND APPLICATIONS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-15 US disclosed
US-20100179054-A1 HIGH CHARGE DENSITY STRUCTURES, INCLUDING CARBON-BASED NANOSTRUCTURES AND APPLICATIONS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-15 US disclosed
EP-0138523-B1 PENICILLIN DERIVATIVES AND PROCESS FOR PREPARING THE SAME (11111) TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1987-08-19 EP disclosed
US-4668514-A Penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1987-05-26 US disclosed
EP-0138523-A1 Penicillin derivatives and process for preparing the same (11111) TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-04-24 EP 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-20100179054-A1 HIGH CHARGE DENSITY STRUCTURES, INCLUDING CARBON-BASED NANOSTRUCTURES AND APPLICATIONS THEREOF ACP1, CA12, CNPY3 NPC1 2896/4885TSHR 4699/4885CA12 2/4885

“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.