SCHEMBL2405243

SCHEMBL2405243

CCCCCCCCC(O)(CC)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
SMPD1 P17405 1/20 0.42
FDPS P14324 8/20 0.41
GGPS1 O95749 5/20 0.41
EPHX1 P07099 1/20 0.41
GAA P10253 1/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL11476098 0.84 KMT2A (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL1734681 0.81 NAAA (0.48) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL20816343 0.80 MEN1 (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL28697224 0.80 MEN1 (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL2229952 0.80 MEN1 (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL14057227 0.80 MEN1 (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL755683 0.79 DGAT1 (0.37) USP2LMNAGAA
SCHEMBL5878909 0.78 MAPT (0.45) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL7783336 0.78 MAPT (0.45) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL9376141 0.78 MAPT (0.45) MEN1MAPTKMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052545-A1 COMPOSITIONS AND METHODS OF THEIR USE CHEMIC LABORATORIES, LLC 2021-02-25 US disclosed
US-20210045993-A1 COSMETIC COMPOSITIONS ELEBLEND LLC 2021-02-18 US disclosed
US-20190328884-A1 COMPOSITIONS AND METHODS OF THEIR USE CHEMIC LABORATORIES, INC. 2019-10-31 US disclosed
US-20140357600-A1 NOVEL ESTER CONTAINING COMPOSITIONS AND METHODS CHEMIC LABORATORIES INC. (US) 2014-12-04 US disclosed
US-20130089577-A1 NOVEL ESTER CONTAINING COMPOSITIONS AND METHODS CHEMSMART, LLC 2013-04-11 US disclosed
WO-2011113000-A1 NOVEL ESTER CONTAINING COMPOSITIONS AND METHODS CHEMSMART, LLC (US) 2011-09-15 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 (5 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-20210052545-A1 COMPOSITIONS AND METHODS OF THEIR USE CNR2, CNR1, SGMS1 MEN1 1334/4885MAPT 667/4885KMT2A 1273/4885
US-20130089577-A1 NOVEL ESTER CONTAINING COMPOSITIONS AND METHODS LIPA, LIPC, LIPG MEN1 4285/4885MAPT 1384/4885KMT2A 4325/4885
US-20140357600-A1 NOVEL ESTER CONTAINING COMPOSITIONS AND METHODS LIPA, LIPC, LIPG MEN1 4285/4885MAPT 1384/4885KMT2A 4325/4885
US-20210045993-A1 COSMETIC COMPOSITIONS CUTA, SUCLG1, ASAH2 MEN1 317/4885MAPT 762/4885KMT2A 1636/4885
US-20190328884-A1 COMPOSITIONS AND METHODS OF THEIR USE SGMS2, SGMS1, LIPA MEN1 635/4885MAPT 389/4885KMT2A 3060/4885

“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.