SCHEMBL2435441

SCHEMBL2435441

CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
CYP19A1 P11511 1/20 0.44
LMNA P02545 1/20 0.44
FFAR1 O14842 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 1/20 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
SCHEMBL646425 0.93 MYC (0.44) MYCMAXL3MBTL1CTSVCTSL
SCHEMBL6373099 0.92 MYC (0.52) MYCMAXCTSVCTSLCYP19A1
SCHEMBL6373720 0.87 MYC (0.50) MYCMAXL3MBTL1CTSVCTSL
SCHEMBL6373712 0.87 MYC (0.50) MYCMAXL3MBTL1CTSVCTSL
SCHEMBL12710192 0.85 L3MBTL1 (0.46) L3MBTL1LMNARAB9AALDH1A1HTT
SCHEMBL6592919 0.84 MYC (0.50) MYCMAXL3MBTL1CTSVCTSL
SCHEMBL9606830 0.83 ALDH1A1 (0.40) L3MBTL1CTSVCTSLLMNARAB9A
SCHEMBL6592493 0.82 MYC (0.53) MYCMAXL3MBTL1CTSVCTSL
SCHEMBL14626974 0.82 L3MBTL1 (0.52) L3MBTL1LMNAALDH1A1MAPTMEN1
SCHEMBL6592914 0.82 MYC (0.53) MYCMAXCTSVCTSLCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
EP-3856176-A2 INHIBITORS OF VAP-1 Acucela Inc. (US) 2021-08-04 EP disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 WO disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 MYC 1620/4885MAX 3849/4885L3MBTL1 1029/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 MYC 1620/4885MAX 3849/4885L3MBTL1 1029/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 MYC 1233/4885MAX 2742/4885L3MBTL1 668/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 MYC 1620/4885MAX 3849/4885L3MBTL1 1029/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 MYC 1620/4885MAX 3849/4885L3MBTL1 1029/4885

“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.