SCHEMBL22473779

SCHEMBL22473779

CC(C)NC(=O)CCCCCn1cc(COCCOCCOCCOC(C)C)nn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.52
CCR5 P51681 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
FOLH1 Q04609 2/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL22473655 1.00 DGAT1 (0.52) DGAT1CCR5MMP2MMP9MMP8
SCHEMBL22473683 0.99 DGAT1 (0.51) DGAT1CCR5MMP2MMP9MMP8
SCHEMBL22473684 0.92 DGAT1 (0.61) DGAT1CCR5MMP2MMP9MMP8
SCHEMBL22473810 0.91 DGAT1 (0.60) DGAT1CCR5MMP2MMP9MMP8
SCHEMBL22473786 0.89 DGAT1 (0.48) DGAT1CCR5MMP2MMP9MMP8
SCHEMBL22473623 0.89 DGAT1 (0.52) DGAT1CCR5MMP2MMP9MMP8
SCHEMBL22473628 0.89 DGAT1 (0.50) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22473766 0.89 DGAT1 (0.50) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22473755 0.87 EPHX2 (0.43) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22473788 0.87 DGAT1 (0.51) DGAT1MMP2MMP9MMP8MMP13

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-10787443-B2 RAF-degrading conjugate compounds ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-09-29 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-10787443-B2 RAF-degrading conjugate compounds BRAF, RAF1, ARAF DGAT1 1679/4885CCR5 4677/4885MMP2 177/4885

“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.