SCHEMBL910863

SCHEMBL910863

[CH2]c1ccc(CCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
THRB P10828 2/20 0.47
CA2 P00918 1/20 0.46
MGLL Q99685 1/20 0.43
PLK1 P53350 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
HTR1D P28221 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
SHBG P04278 1/20 0.38

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
SCHEMBL27871086 0.97 LPL (0.48) LPLLIPGTHRBCA2MGLL
SCHEMBL6747631 0.93 LPL (0.45) LPLLIPGTHRBCA2MGLL
SCHEMBL142480 0.85 LPL (0.62) LPLLIPGTHRBCA2MGLL
SCHEMBL97681 0.84 CA2 (0.54) LPLLIPGTHRBCA2MGLL
SCHEMBL342880 0.83 LPL (0.50) LPLLIPGTHRBCA2MGLL
SCHEMBL1101345 0.82 ESR1 (0.59) LPLLIPGTHRBCA2MGLL
SCHEMBL28216919 0.82 TP53 (0.46) CNR2TAAR1ALDH1A1TP53ADRA2A
SCHEMBL27887291 0.82 CA2 (0.52) LPLLIPGTHRBCA2MGLL
SCHEMBL9839848 0.82 LPL (0.59) LPLLIPGTHRBCA2MGLL
SCHEMBL10952838 0.82 GFER (0.47) CA2L3MBTL1TAAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118535-A1 SYNTHESIS AND PURIFICATION OF SUBSTITUTED PYRAZINES MEDIBEACON INC. (US) 2024-06-06 WO claimed
US-20240182430-A1 SYNTHESIS OF SUBSTITUTED PYRAZINES MEDIBEACON INC. 2024-06-06 US claimed
EP-4269391-A1 SYNTHESIS AND USE OF 1-BENZYL-4-METHYL-5-ALKOXY-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVE Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2023-11-01 EP claimed
CN-111484438-B Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2023-02-03 CN claimed
CN-112645866-A Synthesis and application of 1-benzyl-4-methyl-5-alkoxy-1, 2,3, 6-tetrahydropyridine derivative 浙江奥翔药业股份有限公司 2021-04-13 CN claimed
CN-111484438-A Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2020-08-04 CN claimed
CN-108530422-A A kind of preparation method of 2- substitutions -1,3- dithiane derivatives 兰州大学 2018-09-14 CN claimed
CN-108191882-A A kind of preparation method of polyol acetal class compound 泰山医学院 2018-06-22 CN claimed
CN-105555754-B The isomerization method of double (amino methyl) hexamethylenes 三菱瓦斯化学株式会社 2017-10-20 CN claimed
US-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US claimed
US-6451937-B1 BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST SHELL OIL COMPANY 2002-09-17 US claimed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US claimed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP claimed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO claimed
US-5582942-A BINDER RESIN COMPRISES A COPOLYMER INCLUDING A (METH)ACRYLIC ACID ESTER CONTAINING AN AROMATIC RING AND A VINYL MONOMER HAVING ONE TO THREE ACID FUNCTIONAL GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-10 US claimed
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US claimed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP claimed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US claimed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 EP claimed
US-4593090-A Containing perhydrofuran or pyran ring structure GOGO KIMURA (JP) 1986-06-03 US claimed

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-20240182430-A1 SYNTHESIS OF SUBSTITUTED PYRAZINES DHPS, PFAS, NISCH LPL 4271/4885LIPG 4804/4885THRB 2682/4885
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds AHR, PAH, HRH3 LPL 2118/4885LIPG 2008/4885THRB 1820/4885

“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.