SCHEMBL100090

SCHEMBL100090

CC(C)(C)OC(=O)N(CCCCCCCCBr)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CA14 Q9ULX7 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 1/20 0.33
CPB2 Q96IY4 6/20 0.32
DGAT1 O75907 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 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
SCHEMBL9050850 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL2369243 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL5360201 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL960818 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL26962278 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL8480025 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL9051516 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL19153077 0.98 CA14 (0.41) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL3882477 0.92 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14L3MBTL1
SCHEMBL99172 0.91 HDAC1 (0.37) HDAC6HDAC1HDAC2CA14L3MBTL1

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-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 HDAC6 489/4885HDAC1 583/4885HDAC2 508/4885

“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.