SCHEMBL6862827

SCHEMBL6862827

CCCCCO/C=C/C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
TSHR P16473 1/20 0.32
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
MAPT P10636 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
SCHEMBL6862617 1.00 HCAR2 (0.33) HCAR2TSHRZDHHC20ZDHHC2CA1
SCHEMBL27759852 0.98 HCAR2 (0.35) HCAR2TSHRZDHHC20ZDHHC2CA1
SCHEMBL27957601 0.98 HCAR2 (0.35) HCAR2TSHRZDHHC20ZDHHC2CA1
SCHEMBL27894234 0.98 HCAR2 (0.35) HCAR2TSHRZDHHC20ZDHHC2CA1
SCHEMBL4361308 0.93
SCHEMBL1878200 0.93
SCHEMBL4359998 0.84
SCHEMBL4360002 0.84
SCHEMBL7830676 0.79
SCHEMBL16994989 0.78 THRB (0.41) TSHRCA1CA2CA9MEN1

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-20040010150-A1 Process for making 2-amino-5-cyanothiazole compounds ZHAO MATTHEW M (US) 2004-01-15 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-20040010150-A1 Process for making 2-amino-5-cyanothiazole compounds ERBB2, ERBB4, EGFR HCAR2 578/4885TSHR 660/4885ZDHHC20 3038/4885

“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.