SCHEMBL955792

SCHEMBL955792

CN(C)CCC(=O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.51
WNT3A P56704 7/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
STAT6 P42226 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTPN1 P18031 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ACKR3 P25106 1/20 0.47
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30200290 1.00 CTNNB1 (0.51) CTNNB1WNT3AALDH1A1CYP1A2CYP3A4
SCHEMBL17450869 0.86 CES2 (0.52) CTNNB1WNT3AALDH1A1CYP1A2CYP3A4
SCHEMBL30089515 0.82 CTNNB1 (0.68) CTNNB1WNT3AALDH1A1PTPN1ERCC5
SCHEMBL14732971 0.81 CTNNB1 (0.61) CTNNB1WNT3AALDH1A1PTPN1ERCC5
SCHEMBL15988769 0.80 CTNNB1 (0.50) CTNNB1WNT3AALDH1A1PTPN1ERCC5
SCHEMBL4759652 0.80 CYP19A1 (0.53) CTNNB1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL15969455 0.80 CTNNB1 (0.53) CTNNB1WNT3AALDH1A1CYP1A2CYP3A4
SCHEMBL3121320 0.79 ALDH1A1 (0.57) CTNNB1WNT3AALDH1A1HSD17B10PTPN1
SCHEMBL12185681 0.79 ACKR3 (0.70) ALDH1A1CYP1A2CYP3A4CYP2C9STAT6
SCHEMBL1446540 0.79 ACKR3 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9STAT6

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 US disclosed
CN-110804016-A Diaryl quinoline derivatives against mycobacterium tuberculosis 福建省微生物研究所 2020-02-18 CN disclosed
CN-105330595-B pyridine derivatives and their use as antimycobacterial agents 上海嘉坦医药科技有限公司 2019-12-10 CN disclosed
US-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2019-10-29 US disclosed
US-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2019-02-21 US disclosed
EP-3170810-B1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO LTD (CN) 2018-09-19 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575157-B2 2013-11-05 US disclosed
US-8575157-B2 2013-11-05 US disclosed
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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 (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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CTNNB1 6/4885WNT3A 4/4885ALDH1A1 1019/4885
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CTNNB1 2310/4885WNT3A 3334/4885ALDH1A1 269/4885
US-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CTNNB1 6/4885WNT3A 4/4885ALDH1A1 1019/4885
US-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CTNNB1 5/4885WNT3A 4/4885ALDH1A1 1093/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CTNNB1 6/4885WNT3A 4/4885ALDH1A1 1019/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CTNNB1 594/4885WNT3A 2316/4885ALDH1A1 98/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CTNNB1 6/4885WNT3A 4/4885ALDH1A1 1024/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CTNNB1 5/4885WNT3A 4/4885ALDH1A1 1093/4885

“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.