SCHEMBL18527604

SCHEMBL18527604

Cc1cc(C)c(N2[C]N(C(C)c3ccccc3)C=C2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MC4R P32245 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6677918 0.79
SCHEMBL8144157 0.77 CYP2D6 (0.50) CYP2D6MEN1LMNAKMT2ANPSR1
SCHEMBL8144347 0.77 CYP2D6 (0.50) CYP2D6MEN1LMNAKMT2ANPSR1
SCHEMBL852612 0.77 CYP2D6 (0.50) CYP2D6MEN1LMNAKMT2ANPSR1
SCHEMBL6678739 0.74 DPP4 (0.35) LMNAKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL34511 0.73 SELL (0.36) LMNANPSR1KDM4EALDH1A1MAPT
SCHEMBL19030908 0.70 CYP2D6 (0.41) CYP2D6MEN1LMNAKMT2ANPSR1
SCHEMBL6678521 0.69 C5AR1 (0.40) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL6678441 0.65 CYP1A2 (0.42) CYP2D6MEN1LMNAKMT2AKDM4E
SCHEMBL8028616 0.65 GABRA1 (0.37) CYP2D6MEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744494-B2 Immobilized metal alkylidene catalysts and use thereof in olefin metathesis XIMO AG (CH) 2020-08-18 US claimed
EP-3394074-B1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XIMO AG (CH) 2019-10-09 EP claimed
US-20190001315-A1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS KiMo AG (CH) 2019-01-03 US claimed
EP-3394074-A1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XiMo AG (CH) 2018-10-31 EP claimed
WO-2017109199-A1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XIMO AG (CH) 2017-06-29 WO claimed
US-10744494-B2 Immobilized metal alkylidene catalysts and use thereof in olefin metathesis XIMO AG (CH) 2020-08-18 US disclosed
EP-3394074-B1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XIMO AG (CH) 2019-10-09 EP disclosed
US-20190001315-A1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS KiMo AG (CH) 2019-01-03 US disclosed
EP-3394074-A1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XiMo AG (CH) 2018-10-31 EP disclosed
WO-2017109199-A1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XIMO AG (CH) 2017-06-29 WO disclosed
US-20170050994-A1 N-Heterocyclic Carbene Complexes Of Metal Imido Alkylidenes And Metal OXO Alkylidenes, And The Use Of Same Universität Stuttgart (DE) 2017-02-23 US 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-10744494-B2 Immobilized metal alkylidene catalysts and use thereof in olefin metathesis AOC2, AOC3, AOX1 CYP2D6 677/4885MEN1 1934/4885LMNA 4104/4885
US-20170050994-A1 N-Heterocyclic Carbene Complexes Of Metal Imido Alkylidenes And Metal OXO Alkylidenes, And The Use Of Same NR2C2, NR2E3, NR0B2 CYP2D6 1244/4885MEN1 1485/4885LMNA 1689/4885

“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.