SCHEMBL21878041

SCHEMBL21878041

[CH2]Cn1c(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)nc2cnccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
TBXA2R P21731 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 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
SCHEMBL21878062 0.88 RAB9A (0.43) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21877949 0.84 RAB9A (0.44) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21878042 0.83 CYP1A2 (0.43) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21877946 0.79 TP53 (0.40) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21877989 0.77 CYP1A2 (0.42) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL30524694 0.76 TSHR (0.37) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21878147 0.75 TP53 (0.37) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21878055 0.74 HPGDS (0.41) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21878070 0.74 CYP1A2 (0.41) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21877986 0.73 KDM4E (0.39) SMN1; SMN2RAB9ANPC1KDM4EMEN1

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
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
US-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 TP53 1417/4885SMN1; SMN2 1607/4885MAPT 1481/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS TP53 1117/4885SMN1; SMN2 1544/4885MAPT 1440/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS TP53 1286/4885SMN1; SMN2 1613/4885MAPT 1448/4885

“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.