SCHEMBL661409

SCHEMBL661409

COc1c(C)c(O)c2c(c1C=O)O[C@@H](c1ccccc1)C(=O)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.53
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT1 Q96EB6 5/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KMT2A Q03164 2/20 0.34
PTPRF P10586 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
EIF4H Q15056 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL664362 0.88 CYP19A1 (0.46) CYP19A1NPC1RAB9ASIRT1ABCB1
SCHEMBL29085240 0.83 CYP19A1 (0.47) CYP19A1NPC1RAB9AABCB1ABCG2
SCHEMBL29204371 0.83 CYP19A1 (0.42) CYP19A1NPC1RAB9ASIRT1ABCB1
SCHEMBL664145 0.79 ALOX5 (0.39) CYP19A1SIRT1ABCB1ABCG2KMT2A
SCHEMBL17503283 0.75 NPC1 (0.45) CYP19A1NPC1RAB9ASIRT1ABCB1
SCHEMBL661408 0.74 CYP19A1 (0.59) CYP19A1NPC1RAB9AABCB1ABCG2
SCHEMBL665266 0.73 CYP19A1 (0.51) CYP19A1NPC1RAB9ASIRT1ABCB1
SCHEMBL28840935 0.73 CYP19A1 (0.46) CYP19A1NPC1RAB9ASIRT1ABCB1
SCHEMBL15573731 0.73 ABCG2 (0.56) CYP19A1NPC1RAB9ASIRT1ABCB1
SCHEMBL28513252 0.73 CYP19A1 (0.46) CYP19A1NPC1RAB9ASIRT1ABCB1

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 4094/4885NPC1 2097/4885RAB9A 3231/4885

“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.