SCHEMBL22651617

SCHEMBL22651617

CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1O)c64)C(=O)N(c1cccc(OC)c1OC)C5=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ APP P05067 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ SMARCA2 P51531 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34

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
SCHEMBL22651619 0.86 ESR1 (0.46) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL18379119 0.85 BCHE (0.48) ALDH1A1GAAKMT2AMEN1APP
SCHEMBL20392828 0.80 STAT3 (0.48) ALDH1A1KMT2AMEN1USP2KDM4E
SCHEMBL22651727 0.79 STAT3 (0.41) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL22651728 0.78 KDM4E (0.36) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL18379009 0.76 STAT3 (0.44) ALDH1A1KMT2AMEN1USP2APP
SCHEMBL18378925 0.76 APP (0.53) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL23987286 0.75 HEXA (0.44) ALDH1A1KMT2AMEN1USP2KDM4E
SCHEMBL22651631 0.75 ALDH1A1 (0.41) ALDH1A1GAAKMT2AMEN1USP2
SCHEMBL22651653 0.75 STAT3 (0.37) ALDH1A1GAAKMT2AMEN1USP2

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-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES UNIVERSITY OF UTAH 2020-11-12 — — 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-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES NCS1, DAXX, CNDP2 ALDH1A1 151/4885GAA 429/4885KMT2A 3528/4885

“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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