SCHEMBL22528205

SCHEMBL22528205

O=Cc1cccc(-c2cccc(OC3COC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.42
▸ MEF2D Q14814 1/20 0.42
▸ DRD1 P21728 1/20 0.41
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ SRC P12931 1/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC16A3 O15427 2/20 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
SCHEMBL18114419 0.91 SRC (0.46) HDAC4MEF2DSRCMAOAMAOB
SCHEMBL19463373 0.80 CDK8 (0.38) HDAC4MEF2DTRIM24TRIM33BRD4
SCHEMBL28376632 0.79 SRC (0.42) HDAC4MEF2DSRCMAOAMAOB
SCHEMBL29664363 0.79 SRC (0.42) HDAC4MEF2DSRCMAOAMAOB
SCHEMBL26345121 0.79 SRC (0.42) HDAC4MEF2DSRCMAOAMAOB
SCHEMBL28371609 0.79 SRC (0.42) HDAC4MEF2DSRCMAOAMAOB
SCHEMBL29664399 0.79 SRC (0.42) HDAC4MEF2DSRCMAOAMAOB
SCHEMBL29588562 0.79 SRC (0.42) HDAC4MEF2DSRCMAOAMAOB
SCHEMBL19463138 0.79 CDK8 (0.35) HDAC4MEF2DTRIM24TRIM33CA12
SCHEMBL15748348 0.77 ENPP2 (0.52) HDAC4MEF2DDRD1TRIM24TRIM33

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-20200325154-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES WITH OXETANE-3-YLOXY SUBSTITUTION ACTELION PHARMACEUTICALS LTD (CH) 2020-10-15 — — 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-20200325154-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES WITH OXETANE-3-YLOXY SUBSTITUTION MT-CO3, UQCRC1, MT-ND3 HDAC4 2120/4885MEF2D 365/4885DRD1 1214/4885

“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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