SCHEMBL23135308

SCHEMBL23135308

COCCCSCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ PLA2G4B P0C869 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ DDAH1 O94760 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ BHMT Q93088 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLS O94925 1/20 0.32
▸ NOS2 P35228 1/20 0.30
▸ ARG1 P05089 1/20 0.30
▸ ARG2 P78540 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12421758 0.82 ALDH1A1 (0.42) ALDH1A1PLA2G4BTSHRKMT2ALMNA
SCHEMBL228309 0.80 — —
SCHEMBL13227791 0.80 TSHR (0.48) ALDH1A1PLA2G4BTSHRKMT2ALMNA
Hydrochloric Acid SCHEMBL27635100 0.78 — —
SCHEMBL310767 0.78 — —
SCHEMBL10760994 0.78 ALDH1A1 (0.35) ALDH1A1TSHRKDM4E
SCHEMBL788769 0.78 KMT2A (0.53) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL12417193 0.77 LMNA (0.50) ALDH1A1PLA2G4BTSHRKMT2ALMNA
SCHEMBL11862251 0.77 FAAH (0.45) ALDH1A1PLA2G4BTSHRKMT2ALMNA
SCHEMBL2092810 0.76 ALDH1A1 (0.67) ALDH1A1TSHRDDAH1KMT2AKDM4E

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-20210085781-A1 NEOGLYCOCONJUGATES AS VACCINES AND THERAPEUTIC TOOLS KORANEX CAPITAL (CA) 2021-03-25 — — 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-20210085781-A1 NEOGLYCOCONJUGATES AS VACCINES AND THERAPEUTIC TOOLS GNE, B3GNT2, KRTCAP2 ALDH1A1 4018/4885PLA2G4B 4007/4885TSHR 1739/4885

“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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