SCHEMBL544702

SCHEMBL544702

CN(C)CCCCCCOC(=O)/C=C\C(=O)OCCCCCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
HCAR2 Q8TDS4 4/20 0.55
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABCB1 P08183 3/20 0.41
ABCC1 P33527 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 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
SCHEMBL543771 1.00 ATM (0.55) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL543769 1.00 ATM (0.55) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL11251326 0.98 ATM (0.57) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL17695740 0.93 ALDH1A1 (0.50) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL9984524 0.93 HCAR2 (0.67) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL9984098 0.93 HCAR2 (0.67) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL17695739 0.93 ALDH1A1 (0.50) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL9984104 0.93 HCAR2 (0.67) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL4411164 0.92 ATM (0.59) ATMHCAR2ALDH1A1KDM4ELMNA
SCHEMBL5013882 0.92 ATM (0.59) ATMHCAR2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110625-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-02-07 US disclosed
US-20100298488-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2010-11-25 US disclosed
US-7799856-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2010-09-21 US disclosed
EP-2226354-A1 Rubber composition Bridgestone Corporation (JP) 2010-09-08 EP disclosed
EP-2223958-A1 Rubber composition Bridgestone Corporation (JP) 2010-09-01 EP disclosed
EP-1435375-A1 RUBBER COMPOSITION Bridgestone Corporation (JP) 2004-07-07 EP 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-20100298488-A1 RUBBER COMPOSITION RAD50, RAD54L, VCL ATM 197/4885HCAR2 2134/4885ALDH1A1 3192/4885

“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.