SCHEMBL1397282

SCHEMBL1397282

NCCC(CCN)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SHBG P04278 1/20 0.39
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL1615544 0.90 ALDH1A1 (0.53) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL16281688 0.89 ALDH1A1 (0.44) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL11519202 0.87 ALDH1A1 (0.50) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL29007633 0.87 EPHX1 (0.40) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL13767350 0.86 SHBG (0.48) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL10659158 0.82 DNM1 (0.37) EPHX1ALDH1A1SHBGMEN1KMT2A
SCHEMBL18924690 0.82 DNM1 (0.37) EPHX1ALDH1A1SHBGMEN1KMT2A
SCHEMBL11515656 0.82 ALDH1A1 (0.45) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL3429556 0.81 EPHX1 (0.39) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL2067551 0.79 EPHX1 (0.64) EPHX1ALDH1A1TP53KDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288640-B1 WATER SOLUBLE AMINE AND ITS APPLICATION SIKA TECH AG (CH) 2018-09-19 EP disclosed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US disclosed
EP-2288640-A1 WATER-SOLUBLE AMINE AND USES THEREOF Sika Technology AG (CH) 2011-03-02 EP disclosed
WO-2009150212-A1 WATER-SOLUBLE AMINE AND USES THEREOF SIKA TECHNOLOGY AG (CH) 2009-12-17 WO disclosed
EP-2132246-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT Sika Technology AG (CH) 2009-12-16 EP disclosed
WO-2008116927-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2008-10-02 WO disclosed
EP-1975187-A1 Method for manufacturing polyurethane compounds with low isocyanate-monomer content Sika Technology AG (CH) 2008-10-01 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-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS AAAS, PNMT, PARG EPHX1 405/4885ALDH1A1 1074/4885TP53 2858/4885

“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.