SCHEMBL1782335

SCHEMBL1782335

O=CC1Oc2ccccc2CC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
MAOA P21397 5/20 0.41
ANPEP P15144 6/20 0.38
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CYP19A1 P11511 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA2 P00918 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC2 O75106 4/20 0.33
DAO P14920 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
SCHEMBL1783171 0.74 MAOB (0.43) MAOBMAOAANPEPCYP1A2KDM4E
SCHEMBL7664111 0.74 MAOB (0.43) MAOBMAOAANPEPCYP1A2KDM4E
SCHEMBL2424577 0.74 TSHR (0.48) MAOBMAOAANPEPCYP1A2KDM4E
SCHEMBL19746 0.71 CYP19A1 (0.45) MAOBMAOAANPEPKDM4EADORA3
SCHEMBL30292163 0.70 SMN1; SMN2 (0.42) MAOBMAOAANPEPKDM4EADORA3
SCHEMBL8823819 0.70 MAOB (0.39) MAOBMAOAANPEPCYP1A2KDM4E
SCHEMBL5328708 0.70 SMN1; SMN2 (0.42) MAOBMAOAANPEPKDM4EADORA3
SCHEMBL11733122 0.70 CYP19A1 (0.44) MAOBMAOAANPEPKDM4EADORA3
SCHEMBL8496949 0.70 MAOB (0.39) MAOBMAOAANPEPCYP1A2KDM4E
SCHEMBL28904739 0.70 CA2 (0.37) MAOBMAOAANPEPKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-1033369-B1 5H-PYRANO [2,3-d:6,5-d']DIPYRIMIDINE DERIVATIVES HAVING AN ANTIBACTERIAL, ANTIVIRAL AND IMMUNO-MODULATING ACTIVITY NATURAL DRUG SCIENCES L L C (US) 2003-01-29 EP disclosed
US-6340755-B1 IMMUNOMMODULATORS, BACTERICIDES AND VIRICIDES NATURAL DRUG SCIENCES LLC 2002-01-22 US disclosed
EP-1033369-A1 5H-PYRANO [2,3-d:6,5-d']DIPYRIMIDINE DERIVATIVES HAVING AN ANTIBACTERIAL, ANTIVIRAL AND IMMUNO-MODULATING ACTIVITY Tets, Viktor Veniaminovich (RU) 2000-09-06 EP 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 MAOB 3615/4885MAOA 2700/4885ANPEP 4881/4885

“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.