SCHEMBL662967

SCHEMBL662967

COc1cc(O)c(C)c(O)c1C(=O)C=Cc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.74
▸ NPSR1 Q6W5P4 2/20 0.74
▸ KMT2A Q03164 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KCNA3 P22001 1/20 0.68
▸ TP53 P04637 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ ABCB1 P08183 3/20 0.64
▸ CYP19A1 P11511 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ MAOA P21397 1/20 0.61
▸ MAOB P27338 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ PDPK1 O15530 1/20 0.57
▸ TTR P02766 1/20 0.57
▸ ALOX5 P09917 1/20 0.57
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55

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
SCHEMBL662966 1.00 MAPT (0.74) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL29435861 0.91 MAPT (0.80) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL29396796 0.90 MAPT (0.68) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL27575849 0.89 MAPT (0.58) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL27575851 0.89 MAPT (0.58) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL27645866 0.87 MAPT (0.74) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL14027201 0.87 MAPT (0.74) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL30141565 0.87 MAPT (0.74) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL15575116 0.85 SLC5A1 (0.65) MAPTNPSR1KMT2AMEN1KCNA3
SCHEMBL15575117 0.85 SLC5A1 (0.65) MAPTNPSR1KMT2AMEN1KCNA3

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-20120046353-A1 CLEISTOCALYX OPERCULATUS-DERIVED COMPOUNDS HAVING INHIBITORY ACTIVITIES AGAINST AVIAN AND SWINE INFLUENZA VIRUSES OR NOVEL INFLUENZA VIRUS CHOONG ANG VACCINE LAB. (KR) 2012-02-23 — — US claimed
WO-2012023660-A1 ANTIVIRAL DRUG FOR AVIAN AND SWINE INFLUENZA AND NOVEL FLU, OBTAINED FROM CLEISTOCALYX OPERCULATUS 주식회사 중앙백신연구소 (KR) 2012-02-23 — — WO claimed
US-20120046353-A1 CLEISTOCALYX OPERCULATUS-DERIVED COMPOUNDS HAVING INHIBITORY ACTIVITIES AGAINST AVIAN AND SWINE INFLUENZA VIRUSES OR NOVEL INFLUENZA VIRUS CHOONG ANG VACCINE LAB. (KR) 2012-02-23 — — 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-20120046353-A1 CLEISTOCALYX OPERCULATUS-DERIVED COMPOUNDS HAVING INHIBITORY ACTIVITIES AGAINST AVIAN AND SWINE INFLUENZA VIRUSES OR NOVEL INFLUENZA VIRUS PIGS, CLEC4M, ENGASE MAPT 2192/4885NPSR1 3120/4885KMT2A 2848/4885

“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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