SCHEMBL17524031

SCHEMBL17524031

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nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CA2 P00918 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL17524030 1.00 ALDH1A1 (0.41) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL17524100 0.94 ALDH1A1 (0.40) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL17524099 0.94 ALDH1A1 (0.40) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL17524176 0.92 LMNA (0.39) ALDH1A1CA2TDP1LMNATSHR
SCHEMBL17524175 0.92 LMNA (0.39) ALDH1A1CA2TDP1LMNATSHR
SCHEMBL17523807 0.84 LMNA (0.43) ALDH1A1LMNARIPK1
SCHEMBL17523806 0.84 LMNA (0.43) ALDH1A1LMNARIPK1
SCHEMBL9173076 0.83 ALDH1A1 (0.55) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL16104742 0.83 ALDH1A1 (0.41) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL4887912 0.82 ALDH1A1 (0.38) ALDH1A1CA2

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ALDH1A1 2376/4885CA2 1053/4885TDP1 1618/4885

“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.