SCHEMBL5468569

SCHEMBL5468569

C=C(c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.54
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 4/20 0.54
▸ CA7 P43166 4/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ CA14 Q9ULX7 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA6 P23280 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTT P42858 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL16359042 0.81 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL7909292 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL21845104 0.79 HDAC1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL23005771 0.77 ALDH1A1 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL23005772 0.77 HSD17B10 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7426568 0.74 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL12676202 0.74 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL7096163 0.74 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2221669 0.74 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL29503047 0.74 CA12 (0.61) CA12CA1CA2CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2020-03-19 — — US disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 — — US disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 — — 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 (2 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-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 CA12 3937/4885CA1 1764/4885CA2 4324/4885
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 CA12 3106/4885CA1 1944/4885CA2 2375/4885

“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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