SCHEMBL22333897

SCHEMBL22333897

COC1C2OC(C)(C)O[C@H]2O[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.77
▸ HPGD P15428 1/20 0.60
▸ POLB P06746 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CES2 O00748 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPM1B O75688 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA5 P30532 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SLC22A1 O15245 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL24686427 1.00 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL15691440 1.00 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL19132639 1.00 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL16907937 1.00 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL22704385 1.00 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL22022494 0.91 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL14356269 0.91 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL13486952 0.91 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL15127532 0.91 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL30976643 0.91 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340613-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE IMMUNESENSOR THERAPEUTICS, INC. 2022-10-27 — — US disclosed
EP-3692996-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE Immune Sensor, LLC (US) 2020-08-12 — — 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 (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-20220340613-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE CGAS, PDE7A, PDE11A ALDH1A1 3411/4885HPGD 201/4885POLB 100/4885

“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.

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