SCHEMBL20093630

SCHEMBL20093630

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nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.40
ALDH1A1 P00352 2/20 0.35
PSMB5 P28074 2/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ACE P12821 1/20 0.33
MAPT P10636 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL13840603 0.83 ALDH1A1 (0.44) MMEALDH1A1PSMB5MEN1LMNA
SCHEMBL14754681 0.83 ALDH1A1 (0.44) MMEALDH1A1PSMB5MEN1LMNA
SCHEMBL15145452 0.76 MMP2 (0.40) MMEALDH1A1PSMB5LMNAMMP2
SCHEMBL14532758 0.76 MMP2 (0.40) MMEALDH1A1PSMB5LMNAMMP2
SCHEMBL15125077 0.72 PSMB5 (0.43) MMEALDH1A1PSMB5
SCHEMBL19364678 0.72 CYP2D6 (0.48) ALDH1A1PSMB5LMNAKMT2AMMP8
SCHEMBL14198595 0.71 ECE1 (0.41) MMEALDH1A1MEN1KMT2AMMP2
SCHEMBL24793777 0.70 ALDH1A1 (0.38) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL22851449 0.69 PSMB5 (0.57) ALDH1A1PSMB5KMT2A
SCHEMBL28032352 0.69 ALDH1A1 (0.41) ALDH1A1MEN1LMNAKMT2ACACNA2D1

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-20180110791-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2018-04-26 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-20180110791-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 MME 845/4885ALDH1A1 4261/4885PSMB5 18/4885

“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.