SCHEMBL22528207

SCHEMBL22528207

O=Cc1cccc(-c2cccc(OC3COC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ FFAR4 Q5NUL3 9/20 0.41
▸ CDK8 P49336 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ KMO O15229 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL17687826 0.82 SLC6A2 (0.41) SLC6A2SLC6A4KCNH2FFAR4CDK8
SCHEMBL17687955 0.81 FFAR4 (0.45) SLC6A2SLC6A4KCNH2FFAR4BRD4
SCHEMBL19471860 0.80 FFAR4 (0.44) SLC6A2SLC6A4KCNH2FFAR4
SCHEMBL17687988 0.80 FFAR4 (0.44) SLC6A2SLC6A4KCNH2FFAR4
SCHEMBL19471785 0.80 FFAR4 (0.44) SLC6A2SLC6A4KCNH2FFAR4
SCHEMBL17687912 0.79 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2FFAR4CDK8
SCHEMBL17687802 0.78 FFAR4 (0.47) SLC6A2SLC6A4KCNH2FFAR4PIM1
SCHEMBL19463373 0.78 CDK8 (0.38) CDK8BRD4KMOMTORTRIM24
SCHEMBL22528205 0.77 HDAC4 (0.42) SLC6A2SLC6A4FFAR4CDK8BRD4
SCHEMBL19463138 0.77 CDK8 (0.35) CDK8BRD4KMOMTORTRIM24

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 SLC6A2 3906/4885SLC6A4 4475/4885KCNH2 1552/4885

“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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