SCHEMBL18737014

SCHEMBL18737014

CCCCC(C)(C)CCCN(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
CACNA2D1 P54289 1/20 0.35
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
KCNH2 Q12809 5/20 0.32
SLC2A1 P11166 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL18737149 0.91 PLA2G1B (0.39) SIGMAR1CACNA2D1PLA2G1BPLA2G2AKCNH2
SCHEMBL21016188 0.84 SIGMAR1 (0.42) SIGMAR1CACNA2D1KCNH2
SCHEMBL12394761 0.83 SIGMAR1 (0.36) SIGMAR1CACNA2D1KCNH2SLC2A1
SCHEMBL24811724 0.82 KCNH2 (0.33) SIGMAR1PLA2G1BPLA2G2AKCNH2CA12
SCHEMBL10284380 0.82 SIGMAR1 (0.41) SIGMAR1PLA2G1BPLA2G2AKCNH2
SCHEMBL19478585 0.80 CACNA2D1 (0.33) SIGMAR1CACNA2D1
SCHEMBL8897968 0.79 TSHR (0.43)
SCHEMBL678643 0.77 SIGMAR1 (0.38) SIGMAR1CACNA2D1KCNH2SLC2A1
SCHEMBL27781294 0.76 TSHR (0.40)
SCHEMBL22725 0.76

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-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 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-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 SIGMAR1 2497/4885CACNA2D1 2009/4885PLA2G1B 4397/4885

“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.