SCHEMBL5790127

SCHEMBL5790127

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru])c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CRHR1 P34998 13/20 0.36
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL16834202 0.82 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL17459753 0.80 ALDH1A1 (0.33) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL3399592 0.79 CRHR1 (0.34) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL16834246 0.77 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTPOLBHTT
Hydrochloric Acid SCHEMBL2796752 0.76 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTPOLBHTT
Hydrochloric Acid SCHEMBL2796754 0.76 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL4222761 0.74 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL4219437 0.74 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL4227079 0.74 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL1662433 0.72 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTPOLBHTT

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
CN-117916227-A Process for preparing perfuming intermediates 弗门尼舍有限公司 2024-04-19 CN claimed
WO-2023109506-A1 POLYMERIC STERICALLY HINDERED AMINE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 天集化工助剂(沧州)有限公司 2023-06-22 WO disclosed
US-11332426-B2 Method of preparing trisubstituted ethylene compounds TRUSTEES OF BOSTON COLLEGE (US) 2022-05-17 US disclosed
CN-107922426-B Tetrahydrooxepin pyridine compound 安斯泰来制药株式会社 2021-03-26 CN disclosed
CN-112218864-A N-1 branched cycloalkyl substituted imidazo [4,5-c ] quinoline compounds, compositions, and methods 3M创新有限公司 2021-01-12 CN disclosed
US-20190352312-A1 PYRIDYL-TRIAZABICYCLES HOFFMANN-LA ROCHE INC. 2019-11-21 US disclosed
EP-1301458-B1 SYNTHESIS OF FUNCTIONALIZED AND UNFUNCTIONALIZED OLEFINS VIA CROSS AND RING-CLOSING METATHESIS CALIFORNIA INST OF TECHN (US) 2015-09-09 EP disclosed
EP-1301458-A4 SYNTHESIS OF FUNCTIONALIZED AND UNFUNCTIONALIZED OLEFINS VIA CROSS AND RING-CLOSING METATHESIS CALIFORNIA INST OF TECHN (US) 2006-11-02 EP disclosed
US-6794534-B2 USING AS CATALYST RUTHENIUM OR OSMIUM CARBENE COMPLEXES CONTAINING AN IMIDAZOLIDINE LIGAND CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-09-21 US disclosed
EP-1301458-A1 SYNTHESIS OF FUNCTIONALIZED AND UNFUNCTIONALIZED OLEFINS VIA CROSS AND RING-CLOSING METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-04-16 EP disclosed
US-20020137978-A1 Synthesis of functionalized and unfunctionalized olefins via cross and ring-closing Metathesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-26 US disclosed
WO-2002000590-A1 SYNTHESIS OF FUNCTIONALIZED AND UNFUNCTIONALIZED OLEFINS VIA CROSS AND RING-CLOSING METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-01-03 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 (3 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-20190352312-A1 PYRIDYL-TRIAZABICYCLES BACE1, BACE2, PSEN1 ALDH1A1 367/4885NPSR1 1868/4885MAPT 17/4885
US-11332426-B2 Method of preparing trisubstituted ethylene compounds EMC1, EMC2, ESR1 ALDH1A1 3441/4885NPSR1 2705/4885MAPT 2784/4885
US-20020137978-A1 Synthesis of functionalized and unfunctionalized olefins via cross and ring-closing Metathesis OXER1, AOC2, CBR1 ALDH1A1 388/4885NPSR1 3509/4885MAPT 4794/4885

“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.