SCHEMBL661087

SCHEMBL661087

COc1c(C)c(O)c(C)c2oc(-c3ccccc3)cc(=O)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
MAPT P10636 3/20 0.73
KDM4E B2RXH2 1/20 0.73
GAA P10253 1/20 0.73
KIT P10721 1/20 0.73
GABRP O00591 1/20 0.65
GABRD O14764 1/20 0.65
KDM1A O60341 1/20 0.65
CCNT1 O60563 1/20 0.65
PKM P14618 1/20 0.65
GABRA1 P14867 1/20 0.65
GABRB1 P18505 1/20 0.65
GABRG2 P18507 1/20 0.65
CCNA2 P20248 1/20 0.65
CCNC P24863 1/20 0.65
CDK2 P24941 1/20 0.65
GABRB3 P28472 1/20 0.65
GABRA5 P31644 1/20 0.65
GABRA3 P34903 1/20 0.65
PTGS2 P35354 1/20 0.65

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
SCHEMBL31383399 0.90 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL10013320 0.85 ABCB1 (0.64) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL30764599 0.84 ALDH1A1 (0.85) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL4626785 0.84 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL8160531 0.83 ALDH1A1 (0.82) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL26112503 0.82 PPARG (0.81) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL27939886 0.82 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EGAAKIT
SCHEMBL29187274 0.81 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EGAAKIT
Sideroxylin SCHEMBL28397284 0.80 PPARG (0.73) ALDH1A1MAPTKDM4EGAAGABRP
Wogonin SCHEMBL29632729 0.79 GABRP (1.00) ALDH1A1MAPTKDM4EGAAKIT

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 2 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 disclosed
WO-2012023660-A1 ANTIVIRAL DRUG FOR AVIAN AND SWINE INFLUENZA AND NOVEL FLU, OBTAINED FROM CLEISTOCALYX OPERCULATUS 주식회사 중앙백신연구소 (KR) 2012-02-23 WO 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 ALDH1A1 2216/4885MAPT 2192/4885KDM4E 2360/4885

“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.