SCHEMBL5057110

SCHEMBL5057110

CC(C)(C)OC(=O)NCCNC(=O)CCCCCNC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ HTT P42858 1/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TGM2 P21980 1/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ SYK P43405 1/20 0.51
▸ KLK7 P49862 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL31108315 0.93 HTT (0.64) CYP3A4HTTMAPTTGM2HDAC3
SCHEMBL5574078 0.93 SYK (0.57) CYP3A4HTTMAPTTGM2HDAC3
SCHEMBL7310718 0.90 CYP3A4 (0.56) CYP3A4HTTMAPTHDAC3HDAC4
SCHEMBL17599919 0.90 CYP3A4 (0.59) CYP3A4HTTMAPTTGM2HDAC3
SCHEMBL15679441 0.89 MAPT (0.64) CYP3A4HTTMAPTTGM2SYK
SCHEMBL13090607 0.89 MAPT (0.64) CYP3A4HTTMAPTTGM2SYK
SCHEMBL20385193 0.89 MAPT (0.64) CYP3A4HTTMAPTTGM2SYK
SCHEMBL13480435 0.88 MAPT (0.65) HTTMAPTTGM2SYKKLK7
SCHEMBL17923247 0.87 MAPT (0.58) CYP3A4HTTMAPTTGM2SYK
SCHEMBL16573491 0.87 MAPT (0.58) CYP3A4HTTMAPTTGM2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 — — US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 — — US disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 — — US disclosed
WO-2004009666-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 — — WO 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 (2 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-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO CYP3A4 1489/4885HTT 520/4885MAPT 2097/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO CYP3A4 1489/4885HTT 520/4885MAPT 2097/4885

“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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