SCHEMBL662283

SCHEMBL662283

COc1c(C)c(O)c(C)c(O)c1C(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.80
MCL1 Q07820 1/20 0.55
NFKB1 P19838 1/20 0.53
DPP4 P27487 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
F3 P13726 2/20 0.52
P4HB P07237 1/20 0.52
CALM1 P0DP23 1/20 0.52
XDH P47989 1/20 0.52
KCNA3 P22001 1/20 0.52
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CAPN1 P07384 1/20 0.50
PARP1 P09874 1/20 0.50

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
SCHEMBL662284 1.00 ABCB1 (0.80) ABCB1MCL1NFKB1DPP4NFKB2
SCHEMBL25340278 0.92 ABCB1 (0.80) ABCB1MCL1MAPTALDH1A1RAB9A
SCHEMBL25952345 0.92 ABCB1 (0.80) ABCB1MCL1MAPTALDH1A1RAB9A
SCHEMBL25337768 0.90 ABCB1 (0.78) ABCB1NFKB1NFKB2RELAMAPT
SCHEMBL25952365 0.90 ABCB1 (0.78) ABCB1NFKB1NFKB2RELAMAPT
SCHEMBL25340711 0.89 ABCB1 (0.76) ABCB1MAPTMEN1KMT2AALDH1A1
SCHEMBL25952337 0.89 ABCB1 (0.76) ABCB1MAPTALDH1A1KCNA3MAOA
SCHEMBL25340515 0.89 ABCB1 (0.76) ABCB1MAPTALDH1A1KCNA3MAOA
SCHEMBL25952383 0.89 ABCB1 (0.76) ABCB1MAPTMEN1KMT2AALDH1A1
SCHEMBL662266 0.89 ABCB1 (1.00) ABCB1MAPTMEN1KMT2AALDH1A1

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
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 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 ABCB1 4746/4885MCL1 3952/4885NFKB1 2380/4885

“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.