SCHEMBL22700702

SCHEMBL22700702

CC1=C(C2=C(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C2=O)C(=O)c2cc(OC(=O)C3=CCCN=C3)c(O)c(C(C)C)c2C1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 2/20 0.32
HPGD P15428 2/20 0.32
ALOX12 P18054 2/20 0.32
MAPK1 P28482 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
MCL1 Q07820 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSPD1 P10809 1/20 0.32

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
SCHEMBL22700684 0.84 MCL1 (0.39) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22700685 0.81 MAPT (0.35) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22700712 0.79 KMT2A (0.32) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22700391 0.79 ALB (0.33) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22700494 0.79 KMT2A (0.38) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL22700754 0.78 ALB (0.34) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22700538 0.77 ALB (0.32) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22700393 0.77 ALB (0.37) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22700711 0.75 MCL1 (0.38) KDM4EMEN1NPC1USP2ALDH1A1
SCHEMBL22686504 0.75 ALB (0.42) KDM4EMEN1NPC1USP2ALDH1A1

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 KDM4E 2116/4885MEN1 3688/4885NPC1 693/4885

“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.