SCHEMBL13558758

SCHEMBL13558758

C=C(C)OC(=O)NCCOCCOCCOCCOCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TLR2 O60603 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ EPHX2 P34913 2/20 0.31
▸ TLR1 Q15399 1/20 0.31
▸ ACHE P22303 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
SCHEMBL13484350 0.84 ECE1 (0.39) LMNAHSD17B10TDP1ADRA1AEPHX2
SCHEMBL24340304 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNATLR2
SCHEMBL29721054 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNATLR2
SCHEMBL29240391 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNATLR2
SCHEMBL19057218 0.80 ADRA1A (0.52) MEN1KMT2ASMN1; SMN2TLR2HSD17B10
SCHEMBL13056634 0.80 ADRA1A (0.52) MEN1KMT2ASMN1; SMN2TLR2HSD17B10
SCHEMBL18532464 0.80 ADRA1A (0.52) MEN1KMT2ASMN1; SMN2TLR2HSD17B10
SCHEMBL22690587 0.80 ADRA1A (0.52) MEN1KMT2ASMN1; SMN2TLR2HSD17B10
SCHEMBL12197743 0.80 ADRA1A (0.52) MEN1KMT2ASMN1; SMN2TLR2HSD17B10
SCHEMBL24490705 0.80 ADRA1A (0.52) MEN1KMT2ASMN1; SMN2TLR2HSD17B10

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-20120276124-A1 MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY SANOFI (FR) 2012-11-01 — — 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-20120276124-A1 MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY C1R, OGFR, ARRB1 MEN1 2870/4885KMT2A 2835/4885SMN1; SMN2 2698/4885

“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.

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