SCHEMBL19559077

SCHEMBL19559077

CCS(CC)(CC)c1cc2cc(COC)ccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.41
▸ KMT2A Q03164 11/20 0.41
▸ ALDH1A1 P00352 9/20 0.41
▸ MAPT P10636 6/20 0.41
▸ CA2 P00918 2/20 0.39
▸ RECQL P46063 6/20 0.38
▸ THRB P10828 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ S100A4 P26447 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL24508439 0.79 CA2 (0.52) MEN1KMT2AALDH1A1MAPTCA2
SCHEMBL19559092 0.76 MAPT (0.46) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL17504853 0.73 HPGD (0.38) MEN1KMT2AALDH1A1MAPTCA2
SCHEMBL18685613 0.73 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL19559087 0.72 HTR6 (0.41) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL17504841 0.68 PRKCI (0.50) LMNATP53
SCHEMBL19559091 0.68 RAPGEF4 (0.37) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL4194127 0.67 LMNA (0.50) MAPTCA2KDM4ECYP1A2CYP3A4
SCHEMBL29871774 0.67 LMNA (0.50) MAPTCA2KDM4ECYP1A2CYP3A4
SCHEMBL20739962 0.67 MAPT (0.42) MEN1KMT2AALDH1A1MAPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 — — US disclosed
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-06-16 — — US disclosed
US-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 — — US disclosed
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-02-18 — — US disclosed
US-10919917-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-02-16 — — US disclosed
US-10513531-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-12-24 — — US disclosed
US-20190048030-A1 SILYLATED DERIVATIVES OF AROMATIC HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-02-14 — — US disclosed
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-03-01 — — US disclosed
US-9809607-B2 Silylation of aromatic heterocycles by earth abundant transition-metal-free catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-07 — — 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 (8 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-11312733-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 MEN1 3045/4885KMT2A 654/4885ALDH1A1 1686/4885
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS TEC, AURKA, TYR MEN1 806/4885KMT2A 384/4885ALDH1A1 1843/4885
US-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 MEN1 3045/4885KMT2A 654/4885ALDH1A1 1686/4885
US-10919917-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 MEN1 2882/4885KMT2A 566/4885ALDH1A1 1869/4885
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 MEN1 3045/4885KMT2A 654/4885ALDH1A1 1686/4885
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 MEN1 3045/4885KMT2A 654/4885ALDH1A1 1686/4885
US-10513531-B2 Silylated derivatives of aromatic heterocycles HNRNPH3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBK3 MEN1 1714/4885KMT2A 825/4885ALDH1A1 1755/4885
US-20190048030-A1 SILYLATED DERIVATIVES OF AROMATIC HETEROCYCLES HNRNPH3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBK3 MEN1 1714/4885KMT2A 825/4885ALDH1A1 1755/4885

“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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