SCHEMBL890016

SCHEMBL890016

CCN(CC)CCCNC(C)CC/C=C(/C)CCCN(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
PAOX Q6QHF9 1/20 0.34
SQLE Q14534 4/20 0.32
KDM1A O60341 1/20 0.30
PTPN1 P18031 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
SCHEMBL889932 0.81 ALDH1A1 (0.34) ALDH1A1MEN1RECQLKMT2APAOX
SCHEMBL889910 0.78 SQLE (0.39) ALDH1A1MEN1KMT2ASQLEKDM1A
SCHEMBL889962 0.76 SQLE (0.39) KMT2APAOXSQLEKDM1APTPN1
SCHEMBL11456598 0.71 LMNA (0.40) ALDH1A1PAOX
SCHEMBL15679544 0.69 SQLE (0.40) ALDH1A1MEN1RECQLKMT2ASQLE
Diethylaminoethanol SCHEMBL7648846 0.68 CYP1A2 (0.37) ALDH1A1PAOX
SCHEMBL10617953 0.67 CYP1A2 (0.41) ALDH1A1PAOX
SCHEMBL889889 0.67 SQLE (0.47) ALDH1A1MEN1KMT2ASQLEKDM1A
SCHEMBL10866206 0.67 PTPN1 (0.51) SQLEKDM1APTPN1
SCHEMBL14065629 0.67 PAOX (0.38) ALDH1A1PAOX

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-9193872-B2 Photo-crosslinkable antifouling compositions, films obtained from said compositions, and corresponding uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-11-24 US disclosed
US-20110268689-A1 PHOTO-CROSSLINKABLE ANTIFOULING COMPOSITIONS, FILMS OBTAINED FROM SAID COMPOSITIONS, AND CORRESPONDING USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-11-03 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-20110268689-A1 PHOTO-CROSSLINKABLE ANTIFOULING COMPOSITIONS, FILMS OBTAINED FROM SAID COMPOSITIONS, AND CORRESPONDING USES ALG1, ALG8, PHOSPHO1 ALDH1A1 2823/4885MEN1 3140/4885RECQL 738/4885

“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.