SCHEMBL13259384

SCHEMBL13259384

C#CCN(CC#C)CCCC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
PYCR1 P32322 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
MAPT P10636 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
SCHEMBL459799 0.95 KCNH2 (0.35) KCNH2CA12CA1CA9PYCR1
SCHEMBL17017116 0.92 KCNH2 (0.34) KCNH2CA12CA1CA9PYCR1
SCHEMBL16965227 0.90 DNM1 (0.44) KCNH2
SCHEMBL8519897 0.85 DNM1 (0.44) KCNH2
SCHEMBL30692301 0.85 DNM1 (0.44) KCNH2
SCHEMBL30156804 0.85 DNM1 (0.44) KCNH2
SCHEMBL24693238 0.83 EPHX1 (0.33) KCNH2
SCHEMBL935039 0.80 PYCR1 (0.38) CA12CA9PYCR1CA2
Oxalic Acid SCHEMBL7356011 0.80 KCNH2 (0.41) KCNH2CA12CA1CA9
SCHEMBL413078 0.78 HMGCR (0.43) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-01 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 (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-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE MYB, KCNH2, INTS9 KCNH2 2/4885CA12 637/4885CA1 483/4885

“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.