SCHEMBL13073129

SCHEMBL13073129

CCCCCCCCCCCCCCCC(=O)OCC(COC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)OCC2COC(=O)O2)cc1)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PTPN1 P18031 1/20 0.40
ACP1 P24666 1/20 0.40
CDC25B P30305 1/20 0.40
TLR2 O60603 4/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
LPAR3 Q9UBY5 6/20 0.38
LPAR1 Q92633 3/20 0.38
ENPP2 Q13822 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LPAR2 Q9HBW0 2/20 0.38
PLA2G2A P14555 1/20 0.37

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
SCHEMBL13073172 0.82 ALDH1A1 (0.46) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL13073544 0.82 PTPN1 (0.40) ALDH1A1PTPN1ACP1CDC25BSMN1; SMN2
SCHEMBL13073131 0.79 ALDH1A1 (0.48) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL13073485 0.79 ALDH1A1 (0.46) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL13073645 0.77 ALDH1A1 (0.48) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL975774 0.75 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL974889 0.75 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL978433 0.75 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL449362 0.75 ALDH1A1 (0.69) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL13073536 0.74 TK2 (0.38) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS ALDH1A1 4064/4885LMNA 1430/4885PTPN1 3593/4885

“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.