SCHEMBL3279736

SCHEMBL3279736

CCCCC1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HRH2 P25021 5/20 0.41
▸ HRH1 P35367 5/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ MMP3 P08254 2/20 0.39

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
SCHEMBL10606848 0.97 MGLL (0.48) MGLLPOLBKDM4EHTTKMT2A
SCHEMBL3284899 0.97 MGLL (0.48) MGLLPOLBKDM4EHTTKMT2A
SCHEMBL11159668 0.96 MGLL (0.51) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL3282334 0.96 MGLL (0.51) MGLLPOLBHTTKMT2ASMN1; SMN2
SCHEMBL10605784 0.95 MGLL (0.50) MGLLPOLBKDM4EHTTKMT2A
SCHEMBL10605772 0.95 MGLL (0.50) MGLLPOLBKDM4EHTTKMT2A
SCHEMBL8453928 0.93 MGLL (0.46) MGLLPOLBKDM4EHTTKMT2A
SCHEMBL8453923 0.93 MGLL (0.46) MGLLPOLBKDM4EHTTKMT2A
SCHEMBL8448547 0.93 MGLL (0.46) MGLLPOLBKDM4EHTTKMT2A
SCHEMBL5348508 0.93 MGLL (0.51) MGLLPOLBHTTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260053792-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2026-02-26 — — US disclosed
CN-117510512-A Polysubstituted tetrahydroisoquinoline compound, preparation method, pharmaceutical composition and application 中国科学院上海药物研究所 2024-02-06 — — CN disclosed
WO-2024022528-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 中国科学院上海药物研究所 2024-02-01 — — WO disclosed
EP-3933009-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-08-16 — — EP disclosed
EP-3933009-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-01-05 — — EP disclosed
EP-3839008-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2021-06-23 — — EP disclosed
EP-3502210-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-09-09 — — EP disclosed
EP-3502210-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2019-06-26 — — EP disclosed
US-8883037-B2 Chiral compounds, cholesteric and ferroelectric liquid crystal compositions comprising these chiral compounds, and liquid crystal displays comprising these liquid crystal compositions TETRAGON LC CHEMIE AG (LI) 2014-11-11 — — US disclosed
US-8883037-B2 Chiral compounds, cholesteric and ferroelectric liquid crystal compositions comprising these chiral compounds, and liquid crystal displays comprising these liquid crystal compositions TETRAGON LC CHEMIE AG (LI) 2014-11-11 — — US disclosed
US-7713437-B2 Liquid crystal composition, liquid crystal element, reflective display material, and light-controlling material FUJIFILM CORPORATION (JP) 2010-05-11 — — US disclosed
US-7713437-B2 Liquid crystal composition, liquid crystal element, reflective display material, and light-controlling material FUJIFILM CORPORATION (JP) 2010-05-11 — — US disclosed
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 — — US disclosed
US-20070278449-A1 Liquid crystal composition, liquid crystal element, reflective display material, and light-controlling material FUJIFILM CORPORATION 2007-12-06 — — US disclosed
US-20070278449-A1 Liquid crystal composition, liquid crystal element, reflective display material, and light-controlling material FUJIFILM CORPORATION 2007-12-06 — — US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 — — EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 — — US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 — — US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 — — EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 — — 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 (2 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-20260053792-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF TFEB, SNCA, PARK7 MGLL 1187/4885POLB 2209/4885KDM4E 2547/4885
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC MGLL 2307/4885POLB 831/4885KDM4E 4356/4885

“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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