SCHEMBL21904737

SCHEMBL21904737

CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.CN(C)C(n1nnc2ccccc21)=[N+](C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.49
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GAA P10253 12/20 0.41
▸ MGAM O43451 11/20 0.41
▸ AMY1A P0DUB6 11/20 0.41
▸ SI P14410 11/20 0.41
▸ MGAM2 Q2M2H8 11/20 0.41
▸ F2 P00734 2/20 0.41
▸ SLC9A1 P19634 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ FAAH O00519 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ F12 P00748 4/20 0.39
▸ MIF P14174 1/20 0.39

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
SCHEMBL3893181 0.92 DGAT1 (0.57) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL21904738 0.89 DGAT1 (0.51) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL21073734 0.89 DGAT1 (0.51) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1971917 0.89 DGAT1 (0.51) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29031460 0.81 DGAT1 (0.49) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2732055 0.78 DGAT1 (0.49) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL485372 0.75 SIRT2 (0.43) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL16765691 0.75 SIRT2 (0.43) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5794054 0.75 SIRT2 (0.43) DGAT1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1941414 0.75 SIRT2 (0.43) DGAT1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200138688-A1 Composition For Enhancing Protein Strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2020-05-07 — — US claimed
US-11975091-B2 Composition for enhancing protein strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2024-05-07 — — US disclosed
US-20210401714-A1 Composition For Enhancing Protein Strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2021-12-30 — — US disclosed
US-20200138688-A1 Composition For Enhancing Protein Strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2020-05-07 — — 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 (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-20210401714-A1 Composition For Enhancing Protein Strength CUTA, S100A4, S100A8 DGAT1 3915/4885KMT2A 844/4885KDM4E 437/4885
US-11975091-B2 Composition for enhancing protein strength CUTA, S100A4, S100A8 DGAT1 3915/4885KMT2A 844/4885KDM4E 437/4885
US-20200138688-A1 Composition For Enhancing Protein Strength CUTA, S100A4, S100A8 DGAT1 3915/4885KMT2A 844/4885KDM4E 437/4885

“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.

Send feedback