SCHEMBL13618134

SCHEMBL13618134

CCCCCCCCCc1ccc(OCCOC(OC)C(OC)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
CYP3A4 P08684 2/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLCO1B3 Q9NPD5 1/20 0.59
SLCO1B1 Q9Y6L6 1/20 0.59
PLA2G4A P47712 1/20 0.45
S1PR1 P21453 3/20 0.45
NR5A1 Q13285 1/20 0.45
S1PR4 O95977 2/20 0.44
S1PR5 Q9H228 2/20 0.44
S1PR2 O95136 1/20 0.44
S1PR3 Q99500 1/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44

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
SCHEMBL682694 0.87 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL682704 0.85 MEN1 (0.56) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL14443351 0.85 ALDH1A1 (0.62) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL9215261 0.84 ALDH1A1 (0.73) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL14443353 0.83 MEN1 (0.60) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL9610966 0.83 ALDH1A1 (0.68) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL10945879 0.82 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL9778996 0.82 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL10569132 0.82 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL9357898 0.82 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090276965-A1 Glyoxal-alkyl polyglycol ether acetals CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-11-12 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-20090276965-A1 Glyoxal-alkyl polyglycol ether acetals ABHD6, C9, ABHD5 ALDH1A1 1212/4885LMNA 699/4885CYP3A4 996/4885

“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.