SCHEMBL21786693

SCHEMBL21786693

CC(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 3/20 0.40
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLP1R P43220 5/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
EPHX2 P34913 2/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL13616087 0.90 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL23106273 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL21786796 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL21575544 0.88 HPGD (0.43) MEN1KMT2AHPGDCYP2D6CYP2C19
SCHEMBL23879753 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL21029891 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL23334288 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL11912094 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL11912095 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL25834766 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697736-B2 Silicon containing detectable compounds Singular Genomics Systems, Inc. (US) 2023-07-11 US disclosed
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20230011240-A1 MODIFIED ARCHAEAL FAMILY B POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-12 US disclosed
US-11535754-B2 Silicon containing detectable compounds and uses thereof Singular Genomics Systems, Inc. (US) 2022-12-27 US disclosed
US-20220119779-A1 MODIFIED PYROCOCCUS POLYMERASES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-04-21 US disclosed
US-20210284975-A1 MODIFIED PYROCOCCUS POLYMERASES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2021-09-16 US disclosed
US-11034942-B1 Modified pyrococcus polymerases and uses thereof Singular Genomics Systems, Inc. (US) 2021-06-15 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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 (3 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-11697736-B2 Silicon containing detectable compounds AS3MT, SCLY, NASP MEN1 660/4885KMT2A 3136/4885ALDH1A1 1169/4885
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT MEN1 3489/4885KMT2A 1738/4885ALDH1A1 1026/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 MEN1 3223/4885KMT2A 1863/4885ALDH1A1 955/4885

“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.