SCHEMBL19557301

SCHEMBL19557301

c1ccc(COCCN2CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.75
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ TEAD3 Q99594 1/20 0.60
▸ SIGMAR1 Q99720 4/20 0.57
▸ TSHR P16473 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ THPO P40225 1/20 0.53

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
SCHEMBL26981197 1.00 LTA4H (0.75) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL31305362 0.96 LTA4H (0.71) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL29447351 0.92 LTA4H (0.87) LTA4HMEN1KMT2AGAASIGMAR1
SCHEMBL5708578 0.91 SIGMAR1 (0.73) LTA4HMEN1KMT2ASIGMAR1TSHR
SCHEMBL6393260 0.91 LTA4H (0.84) LTA4HSIGMAR1SMN1; SMN2RAB9ASLC6A3
Hydrochloric Acid SCHEMBL467279 0.90 SIGMAR1 (0.71) LTA4HMEN1KMT2ASIGMAR1TSHR
SCHEMBL7388780 0.89 LTA4H (0.67) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL14141999 0.88 LTA4H (0.61) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL2650781 0.88 LTA4H (0.65) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL21886975 0.88 LTA4H (0.65) LTA4HMEN1KMT2AGAATEAD3

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 13 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-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 — — US disclosed
EP-3705482-B1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INST OF TECHN (US) 2023-02-22 — — EP 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-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
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 LTA4H 1580/4885MEN1 3045/4885KMT2A 654/4885
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS TEC, AURKA, TYR LTA4H 1751/4885MEN1 806/4885KMT2A 384/4885
US-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 LTA4H 1580/4885MEN1 3045/4885KMT2A 654/4885
US-10919917-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 LTA4H 1489/4885MEN1 2882/4885KMT2A 566/4885
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 LTA4H 1580/4885MEN1 3045/4885KMT2A 654/4885
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 LTA4H 1580/4885MEN1 3045/4885KMT2A 654/4885
US-10513531-B2 Silylated derivatives of aromatic heterocycles HNRNPH3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBK3 LTA4H 1647/4885MEN1 1714/4885KMT2A 825/4885
US-20190048030-A1 SILYLATED DERIVATIVES OF AROMATIC HETEROCYCLES HNRNPH3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBK3 LTA4H 1647/4885MEN1 1714/4885KMT2A 825/4885

“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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