SCHEMBL1076308

SCHEMBL1076308

CC(C)c1ccc2ccc(C(C)C)c(N3CCN(c4c(C(C)C)ccc5ccc(C(C)C)cc45)C3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.33
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR3A P46098 1/20 0.32
KIF11 P52732 1/20 0.32
UGT2B7 P16662 1/20 0.32
NTSR1 P30989 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL27971768 0.81 HTR2A (0.35) TSHRHTR1DHTR1BHTR3A
SCHEMBL11939021 0.81 MEN1 (0.33) LMNAHPGDHTR1DHTR1B
SCHEMBL1076305 0.80 HPGD (0.32) HPGDHTR1DHTR1B
SCHEMBL1076307 0.80 HPGD (0.32) HPGDHTR1DHTR1B
SCHEMBL18231795 0.77
SCHEMBL29282855 0.75
SCHEMBL7873017 0.72 GABRA1 (0.41) LMNAALDH1A1TSHR
SCHEMBL9893479 0.71 PTGS1 (0.36) LMNAALDH1A1TSHRHPGDRECQL
SCHEMBL25354539 0.71 KIF11 (0.42) LMNAALDH1A1HTR1DKIF11UGT2B7
SCHEMBL456981 0.70 GABRA1 (0.43) LMNAALDH1A1TSHRHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-07-13 US disclosed
US-11639362-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-05-02 US disclosed
US-20220176362-A1 ORGANORUTHENIUM CARBIDE COMPLEXES AS PRECATALYSTS FOR OLEFIN METATHESIS Apeiron Synthesis S. A. (PL) 2022-06-09 US disclosed
US-11291983-B2 Organoruthenium carbide complexes as precatalysts for olefin metathesis APEIRON SYNTHESIS S.A. (PL) 2022-04-05 US disclosed
EP-3848378-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME Takasago International Corporation (JP) 2021-07-14 EP disclosed
US-20210077988-A1 ORGANORUTHENIUM CARBIDE COMPLEXES AS PRECATALYSTS FOR OLEFIN METATHESIS Apeiron Synthesis S. A. (PL) 2021-03-18 US disclosed
US-20170233418-A1 N-(PHOSPHINOALKYL)-N-(THIOALKYL)AMINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND METAL COMPLEX THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-08-17 US disclosed
US-9527877-B2 Metal complexes, their application and methods of carrying out of metathesis reaction APEIRON SYNTHESIS S.A. (PL) 2016-12-27 US disclosed
US-9328132-B2 Ruthenium complexes, their use in the metathesis reactions, and a process for carrying out the metathesis reaction APEIRON SYNTHESIS S.A. (PL) 2016-05-03 US disclosed
US-20150158896-A1 NOVEL RUTHENIUM COMPLEXES, THEIR USE IN THE METATHESIS REACTIONS, AND A PROCESS FOR CARRYING OUT THE METATHESIS REACTION APEIRON SYNTHESIS S.A. (PL) 2015-06-11 US disclosed
US-20150126744-A1 Metal Complexes, Their Application and Methods of Carrying out of Metathesis Reaction APEIRON SUNTHESIS S.A. (PL) 2015-05-07 US disclosed
EP-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP disclosed
EP-2276725-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. Hoffmann-La Roche AG (CH) 2011-01-26 EP disclosed
WO-2009124853-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-15 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-20170233418-A1 N-(PHOSPHINOALKYL)-N-(THIOALKYL)AMINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND METAL COMPLEX THEREOF NSFL1C, TST, NCL KDM1A 2443/4885LMNA 2346/4885ALDH1A1 1341/4885
US-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME ADH4, ADH5, PF4 KDM1A 2886/4885LMNA 1455/4885ALDH1A1 219/4885
US-20220176362-A1 ORGANORUTHENIUM CARBIDE COMPLEXES AS PRECATALYSTS FOR OLEFIN METATHESIS RCOR1, NFE2L2, ARL1 KDM1A 2992/4885LMNA 1665/4885ALDH1A1 759/4885
US-11639362-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same ADH4, ADH5, PF4 KDM1A 2886/4885LMNA 1455/4885ALDH1A1 219/4885
US-20150126744-A1 Metal Complexes, Their Application and Methods of Carrying out of Metathesis Reaction CYC1, ABCB7, APEX1 KDM1A 4431/4885LMNA 3152/4885ALDH1A1 905/4885
US-20150158896-A1 NOVEL RUTHENIUM COMPLEXES, THEIR USE IN THE METATHESIS REACTIONS, AND A PROCESS FOR CARRYING OUT THE METATHESIS REACTION CYC1, REV1, POR KDM1A 4506/4885LMNA 3802/4885ALDH1A1 872/4885
US-20210077988-A1 ORGANORUTHENIUM CARBIDE COMPLEXES AS PRECATALYSTS FOR OLEFIN METATHESIS RCOR1, OXER1, ARL1 KDM1A 3034/4885LMNA 1685/4885ALDH1A1 739/4885
US-11291983-B2 Organoruthenium carbide complexes as precatalysts for olefin metathesis RCOR1, OXER1, ARL1 KDM1A 3034/4885LMNA 1685/4885ALDH1A1 739/4885

“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.