SCHEMBL22700754

SCHEMBL22700754

CNCC(=O)Oc1cc2c(c(C(C)C)c1O)C(=O)C(C)=C(C1=C(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C1=O)C2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.34
MCL1 Q07820 6/20 0.34
BCL2 P10415 5/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
MAPK1 P28482 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 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
SCHEMBL22700376 0.90 AKR1B1 (0.34) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700684 0.88 MCL1 (0.39) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700393 0.84 ALB (0.37) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700789 0.83 CASP7 (0.37) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700685 0.83 MAPT (0.35) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700391 0.82 ALB (0.33) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700776 0.82 ALB (0.33) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700538 0.80 ALB (0.32) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22686504 0.80 ALB (0.42) ALBMCL1BCL2KDM4EMEN1
SCHEMBL22700711 0.78 MCL1 (0.38) ALBMCL1BCL2KDM4EMEN1

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-20200369618-A1 ASYMMETRIC DERIVATIVES OF POLYPHENOLS OF THE DINAPHTHALINE SERIES, PROCESS OF PREPARING AND USE THEREOF Nearmedic International Limited (CY) 2020-11-26 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-20200369618-A1 ASYMMETRIC DERIVATIVES OF POLYPHENOLS OF THE DINAPHTHALINE SERIES, PROCESS OF PREPARING AND USE THEREOF DNM2, DNM1, MAVS ALB 674/4885MCL1 3671/4885BCL2 3675/4885

“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.