SCHEMBL9949159

SCHEMBL9949159

CC1CCCC2CC3CCCCC3CC12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
ALDH1A1 P00352 1/20 0.33
EPAS1 Q99814 1/20 0.31

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
SCHEMBL6590053 0.92
SCHEMBL28797677 0.83 CA1 (0.33) CA1CA2CA4ALDH1A1EPAS1
Water SCHEMBL27870982 0.81 CA1 (0.32) CA1CA2CA4ALDH1A1EPAS1
Water SCHEMBL27854273 0.81 CA1 (0.32) CA1CA2CA4ALDH1A1EPAS1
SCHEMBL31159659 0.76 CHRM1 (0.33) CA1CA2CA4ALDH1A1EPAS1
SCHEMBL23952890 0.76 CA1 (0.46) CA1CA2CA4ALDH1A1
SCHEMBL4616915 0.76 CA1 (0.46) CA1CA2CA4ALDH1A1
SCHEMBL7724695 0.76 CA1 (0.46) CA1CA2CA4ALDH1A1
SCHEMBL6894837 0.76 CA1 (0.46) CA1CA2CA4ALDH1A1
SCHEMBL6250904 0.76 CA1 (0.46) CA1CA2CA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479159-A1 PREPARATION METHOD FOR COMPOUND PROVIDED WITH DOUBLE BOND Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120165587-A1 Method for Producing a Compound with a Double Bond SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 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-20120165587-A1 Method for Producing a Compound with a Double Bond ADH1C, ADH1A, ADH5 CA1 1145/4885CA2 2748/4885CA4 2379/4885

“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.