SCHEMBL4569160

SCHEMBL4569160

BrC1CCCC(OCC2CCCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
EPHX2 P34913 1/20 0.35
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
LMNA P02545 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
SCHEMBL8640188 0.79 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL2700673 0.79 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL11814690 0.79 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL22449348 0.79 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL22449352 0.78 CTSL (0.46) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL20093737 0.78 CTSL (0.46) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL18434985 0.77 CTSL (0.47) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL18678556 0.77 CTSL (0.44) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL18669503 0.77 CTSL (0.44) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL15359269 0.76 CTSL (0.43) CTSLCTSBCTSKEPHX2

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
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CTSL 4385/4885CTSB 1603/4885CTSK 2661/4885

“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.