SCHEMBL662641

SCHEMBL662641

COc1c(C)c2c(c(O)c1C=O)C(=O)CC(c1ccccc1)O2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.61
ABCG2 Q9UNQ0 4/20 0.57
ABCB1 P08183 2/20 0.57
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
PABPC1 P11940 1/20 0.56
APEX1 P27695 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
EIF4H Q15056 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL29085286 0.91 CYP19A1 (0.61) CYP19A1ABCG2ABCB1POLBMEN1
SCHEMBL661408 0.91 CYP19A1 (0.59) CYP19A1ABCG2ABCB1POLBMEN1
SCHEMBL664361 0.88 CYP19A1 (0.67) CYP19A1ABCG2ABCB1POLBMEN1
SCHEMBL3543073 0.88 CYP19A1 (0.58) CYP19A1ABCG2ABCB1POLBMEN1
SCHEMBL30536901 0.87 CYP19A1 (0.64) CYP19A1ABCG2ABCB1POLBMEN1
SCHEMBL29085238 0.83 CYP19A1 (0.67) CYP19A1ABCG2ABCB1POLBMEN1
SCHEMBL29204369 0.83 NPC1 (0.67) CYP19A1ABCG2ABCB1POLBMEN1
Demethoxymatteucinol SCHEMBL664144 0.79 ABCG2 (0.64) CYP19A1ABCG2ABCB1POLBMEN1
Demethoxymatteucinol SCHEMBL29204370 0.79 ABCG2 (0.64) CYP19A1ABCG2ABCB1POLBMEN1
SCHEMBL9063227 0.76 CYP19A1 (0.70) CYP19A1ABCG2ABCB1POLBMEN1

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 CYP19A1 4094/4885ABCG2 1926/4885ABCB1 4746/4885

“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.