SCHEMBL3929573

SCHEMBL3929573

C(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Ru]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
IDO1 P14902 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1661802 0.98 GAA (0.40) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL1578848 0.96 GAA (0.41) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL29712098 0.87 POLB (0.32) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7770339 0.85 POLB (0.33) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL29712141 0.85 POLB (0.33) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL30187480 0.80
SCHEMBL14992914 0.74
SCHEMBL28793536 0.73 POLB (0.32) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL27653742 0.70 HSP90AA1 (0.31) HSP90AA1MAPK1SMN1; SMN2KDM4ETHRB
SCHEMBL29355518 0.68 GAA (0.36) GAAPOLBHSP90AA1MAPK1SMN1; 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
US-11261206-B2 Olefin metathesis catalysts UMICORE AG & CO. KG 2022-03-01 US disclosed
US-20210155648-A1 OLEFIN METATHESIS CATALYSTS UMICORE AG & CO KG (DE) 2021-05-27 US disclosed
EP-3500557-A1 OLEFIN METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2019-06-26 EP disclosed
WO-2018035319-A1 OLEFIN METATHESIS CATALYSTS MATERIA, INC. (US) 2018-02-22 WO disclosed
CN-103403010-A inhibitors of POLO-like kinases ELAN PHARM INC 2013-11-20 CN disclosed
CN-101090902-B Cgrp receptor antagonists MERCK SHARP & DOHME 2013-05-29 CN disclosed
CN-101115735-B Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI 2013-01-09 CN disclosed
WO-2009009158-A2 METATHETIC PRODUCTION OF FUNCTIONALIZED POLYMERS DOW GLOBAL TECHNOLOGIES, INC. (US) 2009-01-15 WO disclosed
CN-101309894-A Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI (US) 2008-11-19 CN disclosed
CN-101238106-A Fluoro substituted 2-oxo azepan derivatives HOFFMANN LA ROCHE (CH) 2008-08-06 CN disclosed
CN-101124217-A CGRP receptor antagonists MERCK & CO INC (US) 2008-02-13 CN disclosed
CN-101115735-A Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI (US) 2008-01-30 CN disclosed
CN-101103008-A Macrocyclic compounds useful as bace inhibitors NOVARTIS AG (CH) 2008-01-09 CN disclosed
CN-101090902-A Cgrp receptor antagonists MERCK & CO INC (US) 2007-12-19 CN disclosed
CN-101068595-A CGRP receptor antagonists MERCK & CO INC (US) 2007-11-07 CN disclosed
CN-1863754-A Process for the synthesis of unsaturated alcohols DOW GLOBAL TECHNOLOGIES INC (US) 2006-11-15 CN disclosed
CN-1802369-A CGRP receptor antagonists MERCK & CO INC (US) 2006-07-12 CN 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-11261206-B2 Olefin metathesis catalysts MOGAT2, SQLE, FDFT1 GAA 3476/4885POLB 695/4885HSP90AA1 4514/4885
US-20210155648-A1 OLEFIN METATHESIS CATALYSTS MOGAT2, SQLE, FDFT1 GAA 3476/4885POLB 695/4885HSP90AA1 4514/4885

“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.