SCHEMBL29979935

SCHEMBL29979935

CN(C)C=C1CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
ALOX15 P16050 2/20 0.37
TP53 P04637 2/20 0.37
CHRM2 P08172 2/20 0.37
HTR1A P08908 2/20 0.37
CHRM1 P11229 2/20 0.37
DRD2 P14416 2/20 0.37
TSHR P16473 2/20 0.37
ADRA2C P18825 2/20 0.37
CHRM3 P20309 2/20 0.37
SLC6A2 P23975 2/20 0.37

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
SCHEMBL27855880 0.79 CYP1A2 (0.33) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1057092 0.75 CYP1A2 (0.31) MEN1KMT2AALDH1A1MAPTHTT
Lithium Ion SCHEMBL29363019 0.74 KDM4E (0.31) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7883081 0.72 CYP1A2 (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7080326 0.70 KDM4E (0.32) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27604068 0.70 CYP1A2 (0.33) MEN1KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL28230720 0.69 SETD7 (0.38) MEN1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL219752 0.69 TSHR (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7214854 0.68 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL11067247 0.66 KDM4E (0.53) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315551-A1 2-ALKYLCARBONYL[2,3-b]FURAN-4,9-DIONE PRODUCTION METHOD AND PRODUCTION INTERMEDIATE THEREFOR SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-10-06 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 (1 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-20220315551-A1 2-ALKYLCARBONYL[2,3-b]FURAN-4,9-DIONE PRODUCTION METHOD AND PRODUCTION INTERMEDIATE THEREFOR WEE2, DHPS, WEE1 MEN1 2091/4885KMT2A 1608/4885KDM4E 3625/4885

“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.