SCHEMBL17430657

SCHEMBL17430657

CC(C)OCC(CO)CCCCN

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GSR P00390 1/20 0.31
CPB2 Q96IY4 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 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
SCHEMBL13578972 0.80 LMNA (0.40) LMNAALDH1A1CYP3A4GSRCPB2
SCHEMBL15617969 0.78 LMNA (0.43) LMNAALDH1A1CYP3A4GSRCPB2
SCHEMBL17613370 0.78 LMNA (0.37) LMNAALDH1A1CYP3A4GSRCPB2
SCHEMBL18538943 0.78 LMNA (0.37) LMNAALDH1A1CYP3A4GSRCPB2
SCHEMBL9713705 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL13041674 0.77 CYP3A4 (0.44) LMNAALDH1A1CYP3A4GSRCPB2
SCHEMBL183936 0.76 LMNA (0.46) LMNAALDH1A1GSRCPB2RNPEP
SCHEMBL13897063 0.76 TSHR (0.37)
SCHEMBL12641739 0.76 RNPEP (0.36) LMNAALDH1A1CYP3A4GSRCPB2
SCHEMBL22995685 0.76 MAPK1 (0.38) LMNAALDH1A1CYP3A4GSRCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925970-B2 Site selective conjugation of an oligonucleotide conjugate or a small molecule to a metal binding protein AFFYCON APS (DK) 2021-02-23 US disclosed
US-20170354743-A1 SITE SELECTIVE CONJUGATION OF AN OLIGONUCLEOTIDE CONJUGATE OR A SMALL MOLECULE TO A METAL BINDING PROTEIN AFFYCON APS (DK) 2017-12-14 US disclosed
US-20170354743-A1 SITE SELECTIVE CONJUGATION OF AN OLIGONUCLEOTIDE CONJUGATE OR A SMALL MOLECULE TO A METAL BINDING PROTEIN AFFYCON APS (DK) 2017-12-14 US disclosed
WO-2016005474-A1 SITE SELECTIVE CONJUGATION OF AN OLIGONUCLEOTIDE CONJUGATE OR A SMALL MOLECULE TO A METAL BINDING PROTEIN AFFYCON APS (DK) 2016-01-14 WO 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 (2 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-10925970-B2 Site selective conjugation of an oligonucleotide conjugate or a small molecule to a metal binding protein CD2BP2, CACYBP, CALCOCO2 LMNA 3731/4885ALDH1A1 4588/4885CYP3A4 4803/4885
US-20170354743-A1 SITE SELECTIVE CONJUGATION OF AN OLIGONUCLEOTIDE CONJUGATE OR A SMALL MOLECULE TO A METAL BINDING PROTEIN CD2BP2, CACYBP, CALCOCO2 LMNA 3731/4885ALDH1A1 4588/4885CYP3A4 4803/4885

“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.