SCHEMBL9753489

SCHEMBL9753489

C#CCN(CC#C)CCN(CC#C)CC#C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PYCR1 P32322 2/20 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
SCHEMBL13837013 0.96 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL104763 0.84 PYCR1 (0.40) CA12CA1CA2CA4CA9
SCHEMBL24046018 0.83 CA12 (0.34) CA12CA1CA2CA4CA9
SCHEMBL22082551 0.76 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL13259384 0.76 KCNH2 (0.35) CA12CA1CA2CA4CA9
SCHEMBL16465397 0.76 CA12 (0.34) CA12CA1CA2CA4CA9
SCHEMBL935039 0.76 PYCR1 (0.38) CA12CA2CA9ALDH1A1PYCR1
SCHEMBL13976980 0.75 SAT1 (0.39)
SCHEMBL16853285 0.74 CA12 (0.33) CA12CA1CA2CA4CA9
SCHEMBL17017116 0.74 KCNH2 (0.34) CA12CA1CA9PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3176457-A None JP disclosed
CN-114195912-B Preparation method and application of linear or cage-shaped supermolecule self-assembly ligand 昆明理工大学 2022-09-27 CN disclosed
CN-114195912-A Preparation method and application of linear or cage-shaped supermolecule self-assembly ligand 昆明理工大学 2022-03-18 CN disclosed
US-20170216259-A1 COMPOSITIONS AND METHODS FOR TARGETING RECEPTORS EXPRESSED IN THE GUT SENSOR PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170216259-A1 COMPOSITIONS AND METHODS FOR TARGETING RECEPTORS EXPRESSED IN THE GUT SENSOR PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170216259-A1 COMPOSITIONS AND METHODS FOR TARGETING RECEPTORS EXPRESSED IN THE GUT SENSOR PHARMACEUTICALS, INC. 2017-08-03 US disclosed
WO-2016014797-A1 COMPOSITIONS AND METHODS FOR TARGETING RECEPTORS EXPRESSED IN THE GUT SENSOR PHARMACEUTICALS, INC. (US) 2016-01-28 WO disclosed
JP-H03176457-A NOVEL PROPARGYL COMPOUND, ITS PRODUCTION AND COATING MATERIAL CONTAINING THE SAME COMPOUND NIPPON PAINT CO LTD 1991-07-31 JP 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-20170216259-A1 COMPOSITIONS AND METHODS FOR TARGETING RECEPTORS EXPRESSED IN THE GUT FABP2, GPBAR1, NR1H4 CA12 1453/4885CA1 2006/4885CA2 1729/4885

“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.