SCHEMBL3777293

SCHEMBL3777293

CCOC(=CCc1ccccc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MMP8 P22894 2/20 0.39
PPID Q08752 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
RECQL P46063 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL15105972 0.79 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL9578561 0.79 MAOB (0.46) MAOBMAPTTSHRTP53ALDH1A1
SCHEMBL6067639 0.78 MEN1 (0.62) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL351793 0.77 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL9059077 0.77 SLC6A2 (0.44) MAOB
SCHEMBL17018866 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL1295249 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL1295244 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL3918527 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MAPTTSHR
Phenylacetaldehyde SCHEMBL28519985 0.73 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2MAPTTSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896492-B Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2015-05-06 CN disclosed
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 EP disclosed
CN-101100470-B Tetracyclic bispyranyl coumarin compounds INST MATERIA MEDICA CAMS 2013-02-13 CN disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 US disclosed
CN-101896492-A Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2010-11-24 CN disclosed
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 EP disclosed
CN-101100470-A Tetracyclic bispyranyl coumarin compounds INST MATERIA MEDICA CAMS (CN) 2008-01-09 CN 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 MAOB 2995/4885MEN1 2795/4885KMT2A 4759/4885

“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.