SCHEMBL22015859

SCHEMBL22015859

COC(=O)/C=C/c1c(OCc2ccccc2)cc(OC)cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.62
▸ PTPN1 P18031 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ APP P05067 3/20 0.47
▸ MAOB P27338 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAP3K7 O43318 1/20 0.47
▸ TAB1 Q15750 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46

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
SCHEMBL26047486 0.93 HDAC8 (0.57) HDAC8ALDH1A1HPGDHTTKDM4E
SCHEMBL21957672 0.90 HDAC8 (0.58) HDAC8ALDH1A1KDM4EAPPMAOB
SCHEMBL1884913 0.83 CA12 (0.62) HDAC8ABCG2MAPTCA12CA4
SCHEMBL1884911 0.83 CA12 (0.62) HDAC8ABCG2MAPTCA12CA4
SCHEMBL18559977 0.80 HDAC8 (0.69) HDAC8PTPN1ALDH1A1HTTKDM4E
SCHEMBL21957648 0.79 HDAC8 (0.54) HDAC8MAOBMAPT
SCHEMBL1745061 0.79 HDAC8 (0.53) HDAC8APPMAOBCA12CA4
SCHEMBL1745060 0.79 HDAC8 (0.53) HDAC8APPMAOBCA12CA4
SCHEMBL4262496 0.79 ALDH1A1 (0.58) HDAC8ALDH1A1KDM4EAPPGSK3B
SCHEMBL4262500 0.79 ALDH1A1 (0.58) HDAC8ALDH1A1KDM4EAPPGSK3B

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
CN-111184866-B Combination treatment of bacterial infections 香港中文大学 2023-12-19 — — CN disclosed
US-11690810-B2 Combination treatment of bacterial infection THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-07-04 — — US disclosed
US-11690810-B2 Combination treatment of bacterial infection THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-07-04 — — US disclosed
US-20200155641-A1 COMBINATION TREATMENT OF BACTERIAL INFECTION THE CHINESE UNIVERSITY OF HONG KONG (CN) 2020-05-21 — — 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-20200155641-A1 COMBINATION TREATMENT OF BACTERIAL INFECTION PGC, NRDC, PYCARD HDAC8 241/4885PTPN1 2611/4885ALDH1A1 3345/4885
US-11690810-B2 Combination treatment of bacterial infection PGC, NRDC, PYCARD HDAC8 241/4885PTPN1 2611/4885ALDH1A1 3345/4885

“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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