SCHEMBL24465142

SCHEMBL24465142

C[C@@H](OCc1ccccc1)C(OCc1ccccc1)[C@@H](COCc1ccccc1)OC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 4/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 2/20 0.36
TACR1 P25103 2/20 0.36
MME P08473 1/20 0.36
SLC1A1 P43005 3/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL23340707 0.90 TSHR (0.40) RCE1HTTCA1CA2CA7
SCHEMBL24052031 0.86 RCE1 (0.40) RCE1MAPTHTTCA1CA2
SCHEMBL20009805 0.83 RCE1 (0.47) RCE1MAPTHTTCA1CA2
SCHEMBL2554498 0.76 TSHR (0.47) HTTCA1CA2CA7CA9
SCHEMBL29913755 0.75 RCE1 (0.51) RCE1MAPTHTTTSHRKMT2A
SCHEMBL18661849 0.75 RCE1 (0.51) RCE1MAPTHTTTSHRKMT2A
SCHEMBL19356136 0.75 KMT2A (0.49) RCE1MAPTHTTCA1CA2
SCHEMBL19356374 0.75 KMT2A (0.49) RCE1MAPTHTTCA1CA2
SCHEMBL31074785 0.73 TSHR (0.40) MAPTHTTCA1CA2CA7
SCHEMBL15242244 0.73 CA1 (0.51) HTTCA1CA2CA7CA9

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-20230219990-A1 METHOD FOR SYNTHESIZING C-NUCLEOSIDE COMPOUND CHENGDU AUPONE PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
EP-3573718-B1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2022-06-01 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-20230219990-A1 METHOD FOR SYNTHESIZING C-NUCLEOSIDE COMPOUND RNGTT, NSUN2, PNP RCE1 1512/4885MAPT 2942/4885HTT 4702/4885

“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.