SCHEMBL8812331

SCHEMBL8812331

NC(=O)CCCCCCCCCC[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SOAT1 P35610 2/20 0.40
MEN1 O00255 2/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.36
PTPN7 P35236 3/20 0.35
HMGCR P04035 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8018189 1.00 KMT2A (0.40) KMT2ACYP1A2CYP2C19SOAT1MEN1
SCHEMBL8018462 1.00 KMT2A (0.40) KMT2ACYP1A2CYP2C19SOAT1MEN1
SCHEMBL16915245 1.00 KMT2A (0.40) KMT2ACYP1A2CYP2C19SOAT1MEN1
SCHEMBL8810939 1.00 KMT2A (0.40) KMT2ACYP1A2CYP2C19SOAT1MEN1
SCHEMBL16915251 1.00 KMT2A (0.40) KMT2ACYP1A2CYP2C19SOAT1MEN1
SCHEMBL8812767 1.00 KMT2A (0.40) KMT2ACYP1A2CYP2C19SOAT1MEN1
SCHEMBL2077058 0.97
SCHEMBL8011163 0.89
SCHEMBL1462845 0.80
SCHEMBL25293705 0.80 KMT2A (0.52) KMT2ACYP1A2CYP2C19SOAT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305404-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2018-10-25 US disclosed
US-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide ALPHABETA AB (SE) 2018-07-17 US disclosed
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2016-11-24 US disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP 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-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide APP, BACE1, PSEN1 KMT2A 4610/4885CYP1A2 3655/4885CYP2C19 4737/4885
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 KMT2A 4629/4885CYP1A2 4166/4885CYP2C19 4809/4885
US-20180305404-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 KMT2A 4629/4885CYP1A2 4166/4885CYP2C19 4809/4885

“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.