SCHEMBL29764253

SCHEMBL29764253

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nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.48
▸ AMDHD2 Q9Y303 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LGALS3 P17931 1/20 0.40
▸ HK1 P19367 3/20 0.39
▸ HK2 P52789 3/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CD69 Q07108 1/20 0.37

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
SCHEMBL18391246 0.86 MAPK1 (0.49) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL26229737 0.86 MAPK1 (0.49) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL13240509 0.86 MAPK1 (0.49) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL25499747 0.86 MAPK1 (0.49) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL4314010 0.86 MAPK1 (0.49) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL8038552 0.84 MAPK1 (0.48) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL22394176 0.84 MAPK1 (0.48) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL8038560 0.84 MAPK1 (0.48) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL29764270 0.83 MAPK1 (0.47) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL29280392 0.83 MAPK1 (0.47) MAPK1AMDHD2ALDH1A1THRBLMNA

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-20220145343-A1 MATERIALS AND METHODS FOR THE PREPARATION OF BACTERIAL CAPSULAR POLYSACCHARIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-05-12 — — 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-20220145343-A1 MATERIALS AND METHODS FOR THE PREPARATION OF BACTERIAL CAPSULAR POLYSACCHARIDES NANS, GMDS, MGAM MAPK1 3716/4885AMDHD2 37/4885ALDH1A1 2714/4885

“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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