SCHEMBL21725679

SCHEMBL21725679

COCCCO[C@H]1CC[C@H](NCC(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.33
CD38 P28907 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL21725684 1.00 SMYD3 (0.33) SMYD3CD38EPHX2
SCHEMBL22764118 0.90 SMYD3 (0.34) SMYD3CD38
SCHEMBL22764075 0.90 SMYD3 (0.34) SMYD3CD38
SCHEMBL19663472 0.80
SCHEMBL14706852 0.76 SMYD3 (0.35) SMYD3EPHX2
SCHEMBL20327540 0.76 SMYD3 (0.35) SMYD3EPHX2
SCHEMBL20327699 0.76 SMYD3 (0.35) SMYD3EPHX2
SCHEMBL13190992 0.74 NPC1 (0.47) EPHX2
SCHEMBL3349569 0.74 NPC1 (0.47) EPHX2
SCHEMBL4919308 0.73

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-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors GB005, INC. (US) 2020-02-18 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-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors BMX, TEC, BTK SMYD3 3337/4885CD38 2647/4885EPHX2 848/4885

“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.