SCHEMBL17689074

SCHEMBL17689074

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nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ AMDHD2 Q9Y303 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTN P21246 1/20 0.40
▸ MDK P21741 1/20 0.40
▸ BDNF P23560 1/20 0.40
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CD69 Q07108 1/20 0.37
▸ HK1 P19367 1/20 0.37
▸ HK2 P52789 1/20 0.37
▸ LGALS3 P17931 1/20 0.36
▸ F10 P00742 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
SCHEMBL22362645 1.00 MAPK1 (0.45) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL15966272 1.00 MAPK1 (0.45) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL30089326 1.00 MAPK1 (0.45) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL20474503 1.00 MAPK1 (0.45) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL15966248 1.00 MAPK1 (0.45) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL23631128 1.00 MAPK1 (0.45) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL15965653 1.00 MAPK1 (0.45) MAPK1AMDHD2ALDH1A1THRBLMNA
Phosphoric Acid SCHEMBL27756060 0.95 AMDHD2 (0.46) MAPK1AMDHD2ALDH1A1THRBLMNA
SCHEMBL20415021 0.88 BDNF (0.38) MAPK1ALDH1A1THRBPTNMDK
SCHEMBL16566075 0.87 ALDH1A1 (0.40) MAPK1ALDH1A1THRBPTNMDK

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-20160185881-A1 Oligosaccharide Compounds CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-06-30 — — US disclosed
US-9315587-B2 Oligosaccharide compounds VICTORIA LINK LIMITED (NZ) 2016-04-19 — — 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-20160185881-A1 Oligosaccharide Compounds BACE1, BACE2, ENGASE MAPK1 1546/4885AMDHD2 77/4885ALDH1A1 4184/4885

“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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