SCHEMBL22915747

SCHEMBL22915747

CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@]3(CC3(F)F)[C@H]2O1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
CES2 O00748 1/20 0.42
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
NPC1 O15118 1/20 0.38
PPM1B O75688 1/20 0.36
SLC22A1 O15245 1/20 0.35
LMNA P02545 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 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
SCHEMBL22915744 1.00 ALDH1A1 (0.55) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL16576319 0.82 ALDH1A1 (0.60) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL21418918 0.82 ALDH1A1 (0.60) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL20557340 0.82 ALDH1A1 (0.60) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL20721517 0.80 ALDH1A1 (0.55) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL27195153 0.80 ALDH1A1 (0.55) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL27195158 0.80 ALDH1A1 (0.55) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL7048177 0.79 ALDH1A1 (0.56) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL3943578 0.78 ALDH1A1 (0.53) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL7159964 0.78 ALDH1A1 (0.55) ALDH1A1POLBGAAMAPK1NPSR1

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-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS BEONE MEDICINES I GMBH (CH) 2022-08-11 US disclosed
WO-2021013234-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS BEIGENE, LTD. (KY) 2021-01-28 WO 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-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, MAVS ALDH1A1 4552/4885POLB 274/4885GAA 1043/4885

“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.