SCHEMBL22692563

SCHEMBL22692563

CCCCCCC(C(=O)OCc1ccccc1)N(C)C(C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SIRT2 Q8IXJ6 5/20 0.43
▸ SIRT1 Q96EB6 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ SIRT3 Q9NTG7 3/20 0.42

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
SCHEMBL18510069 0.87 ALDH1A1 (0.50) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL18510056 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1TDP1L3MBTL1MEN1
SCHEMBL27908539 0.80 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL28521012 0.80 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5809070 0.80 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27749375 0.80 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL30111762 0.80 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL10949172 0.80 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL29198459 0.80 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL20589964 0.79 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1

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-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-11-24 — — 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-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof CYP2B6, HMBS, DDT CETP 1614/4885ALDH1A1 1138/4885CYP3A4 57/4885

“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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