SCHEMBL21845095

SCHEMBL21845095

COc1cc(C(=O)c2ccc(OC)c(O)c2OC)cc(OC)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ TUBB4A P04350 3/20 0.53
▸ TUBB P07437 3/20 0.53
▸ TUBA3C P0DPH7 3/20 0.53
▸ TUBA1B P68363 3/20 0.53
▸ TUBA4A P68366 3/20 0.53
▸ TUBB4B P68371 3/20 0.53
▸ TUBB3 Q13509 3/20 0.53
▸ TUBB2A Q13885 3/20 0.53
▸ TUBB8 Q3ZCM7 3/20 0.53

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
SCHEMBL21845093 0.94 TUBB4A (0.60) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL26441442 0.88 LMNA (0.49) MAPTKDM4EMAPK1HSD17B10LMNA
Hydroxyphenstatin SCHEMBL13197632 0.84 KDM4E (0.67) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL9339159 0.84 MAPT (0.77) MAPTKDM4EMAPK1HSD17B10LMNA
Hydroxyphenstatin SCHEMBL30910835 0.84 KDM4E (0.67) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL26441446 0.81 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2356387 0.81 TUBB4A (0.51) MAPTKDM4EHSD17B10LMNACYP3A4
SCHEMBL4821487 0.81 MAPT (0.63) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL19003368 0.81 TUBB4A (0.54) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL4823325 0.80 TUBB1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-02 — — US disclosed
US-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-11-23 — — US disclosed
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-10 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11639325-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 MAPT 27/4885KDM4E 418/4885MAPK1 3297/4885
US-11180438-B2 Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders HDAC1, HDAC10, HDAC6 MAPT 27/4885KDM4E 418/4885MAPK1 3297/4885
US-20200087236-A9 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 MAPT 27/4885KDM4E 418/4885MAPK1 3297/4885
US-20210171429-A1 COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS HDAC1, HDAC10, HDAC6 MAPT 27/4885KDM4E 418/4885MAPK1 3297/4885

“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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