SCHEMBL3364853

SCHEMBL3364853

COc1cc(/C=C/CN2CCCCC2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.62
GAA P10253 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TRPV1 Q8NER1 1/20 0.60
TYR P14679 2/20 0.54
FGFR1 P11362 1/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GFER P55789 1/20 0.53
TTR P02766 1/20 0.52
NFE2L2 Q16236 3/20 0.51
CYP2D6 P10635 3/20 0.51
ALOX5 P09917 3/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAOA P21397 2/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL3364855 1.00 APP (0.62) APPGAAMEN1KMT2ATRPV1
SCHEMBL11585652 0.82 MAPT (0.53) APPGAAMEN1KMT2ATYR
SCHEMBL11585649 0.82 MAPT (0.53) APPGAAMEN1KMT2ATYR
SCHEMBL8232286 0.78 ACHE (0.61) GAAMEN1KMT2AFGFR1KDM4E
SCHEMBL7724052 0.78 ACHE (0.61) GAAMEN1KMT2AFGFR1KDM4E
SCHEMBL8526092 0.77 GAA (0.54) APPGAAMEN1KMT2ATRPV1
SCHEMBL7300471 0.77 SETD7 (0.48) APPGAAMEN1KMT2ATYR
SCHEMBL7300478 0.77 SETD7 (0.48) APPGAAMEN1KMT2ATYR
SCHEMBL4257522 0.76 TYR (0.67) APPGAAMEN1KMT2ATYR
SCHEMBL20875273 0.76 TYR (0.67) APPGAAMEN1KMT2ATYR

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A APP 437/4885GAA 1045/4885MEN1 3638/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 APP 1540/4885GAA 181/4885MEN1 4701/4885

“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.