SCHEMBL17775442

SCHEMBL17775442

COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)c(OC(C)C)c2O)c(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ AHR P35869 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ EP300 Q09472 3/20 0.43
▸ AR P10275 1/20 0.43
▸ PELP1 Q8IZL8 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TOP2A P11388 4/20 0.42

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
SCHEMBL16371049 0.91 MAPT (0.48) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL24379797 0.91 EP300 (0.53) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL16392500 0.85 EP300 (0.52) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL17779609 0.85 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2EP300
SCHEMBL21137817 0.85 GAA (0.42) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL24379800 0.84 MEN1 (0.54) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL16392496 0.82 AR (0.58) KDM4ELMNAEP300ARPELP1
SCHEMBL16392463 0.82 EP300 (0.57) RAB9ALMNAEP300GAAMEN1
SCHEMBL20787640 0.81 NPC1 (0.49) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL28514795 0.81 EP300 (0.43) ALDH1A1HPGDKDM4ENPC1RAB9A

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-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — 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-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS ALDH1A1 2000/4885HPGD 723/4885KDM4E 3714/4885

“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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