SCHEMBL3550648

SCHEMBL3550648

CCCC(CC)(CNC(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15592764 0.88 ARG1 (0.33) ARG1ARG2
SCHEMBL580695 0.77 ALDH1A1 (0.38) ARG1ARG2TSHRLMNAADRA1A
SCHEMBL2200625 0.77 ALDH1A1 (0.38) ARG1ARG2TSHRLMNAADRA1A
SCHEMBL9180645 0.75 ALDH1A1 (0.37) ARG1ARG2TSHRLMNA
SCHEMBL9181624 0.73 ALDH1A1 (0.35) ARG1ARG2LMNA
SCHEMBL9181588 0.73 ALDH1A1 (0.35) ARG1ARG2LMNA
SCHEMBL9184201 0.73 ALDH1A1 (0.35) ARG1ARG2LMNA
SCHEMBL9344562 0.73 ALDH1A1 (0.35) ARG1ARG2LMNA
SCHEMBL3550645 0.73 CYP4F2 (0.31)
SCHEMBL3546760 0.73 KDM4E (0.36)

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ARG1 1052/4885ARG2 485/4885TSHR 4347/4885

“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.