SCHEMBL4874003

SCHEMBL4874003

CCCCCCC(CCCC)COC(=O)CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CYP3A4 P08684 2/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RECQL P46063 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MAPT P10636 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
CA2 P00918 2/20 0.42
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41

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
Hydrochloric Acid SCHEMBL4872439 0.98 TSHR (0.54) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL4870241 0.98 TSHR (0.53) TSHRCYP3A4ATMTDP1RECQL
Hydrochloric Acid SCHEMBL4873017 0.97 TSHR (0.51) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL29084678 0.92 RECQL (0.51) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL5185471 0.92 CYP3A4 (0.63) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL29084714 0.91 RECQL (0.49) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL29699886 0.91 RECQL (0.49) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL29084755 0.91 RECQL (0.49) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL29084735 0.91 RECQL (0.49) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL29084636 0.91 RECQL (0.49) TSHRCYP3A4ATMTDP1RECQL

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-7459581-B2 Anti-bacterial compounds GIVAUDAN S.A. (CH) 2008-12-02 US disclosed
US-20080070985-A1 Anti-Bacterial Compounds BEIERSDORF AG (DE) 2008-03-20 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-20080070985-A1 Anti-Bacterial Compounds H1-0, H1-3, LBR TSHR 1319/4885CYP3A4 935/4885ATM 3933/4885

“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.