SCHEMBL20765348

SCHEMBL20765348

CC1=CC2C(=C1)C=Cc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
THPO P40225 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL3239448 0.80 HTR2A (0.45) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL2830663 0.67 HTR2C (0.37) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL20765492 0.67 HTR2A (0.41) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL30483496 0.66 HTR2A (0.34) HTR2A
SCHEMBL28839808 0.66 HTR2A (0.34) HTR2A
SCHEMBL2290547 0.65 HTR2A (0.39) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL11875463 0.64 BRD4 (0.53) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL6055955 0.63 HTR2C (0.40) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL11884483 0.63 HTR2A (0.37) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL27520400 0.62 SIGMAR1 (0.33) HTR2AKDM4ECYP2D6LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111247157-B Novel transition metal compound, catalyst composition comprising the same, and method for preparing ethylene homopolymer or copolymer of ethylene and alpha-olefin using the same 沙特基础工业爱思开NEXLENE私人有限公司 2023-03-28 CN disclosed
US-11339230-B2 Transition metal compound, catalyst composition including the same, and method for preparing ethylene homopolymer or copolymer of ethylene and α-olefin using the same SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2022-05-24 US disclosed
US-20210139617-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN USING THE SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2021-05-13 US disclosed
CN-111247157-A Novel transition metal compound, catalyst composition comprising the same, and method for preparing ethylene homopolymer or copolymer of ethylene and α -olefin using the same 沙特基础工业爱思开NEXLENE私人有限公司 2020-06-05 CN disclosed
WO-2019038605-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND α-OLEFIN USING THE SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2019-02-28 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 (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-20210139617-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST COMPOSITION INCLUDING THE SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN USING THE SAME NOTUM, ALOX12, ETFA HTR2A 4375/4885KDM4E 3020/4885CYP2D6 2643/4885
US-11339230-B2 Transition metal compound, catalyst composition including the same, and method for preparing ethylene homopolymer or copolymer of ethylene and α-olefin using the same NOTUM, ALOX12, ETV6 HTR2A 4415/4885KDM4E 3142/4885CYP2D6 2425/4885

“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.