SCHEMBL3366271

SCHEMBL3366271

COc1cc(O)c2c(c1)CC(C)OC2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.62
KDR P35968 7/20 0.61
KIT P10721 6/20 0.61
PDGFRA P16234 6/20 0.61
FLT4 P35916 5/20 0.61
FLT3 P36888 5/20 0.61
ACVRL1 P37023 4/20 0.61
MAP2K1 Q02750 4/20 0.61
PDGFRB P09619 2/20 0.61
MAP2K2 P36507 2/20 0.61
ALK Q9UM73 2/20 0.61
FLT1 P17948 1/20 0.61
KDM4E B2RXH2 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
BMPR1B O00238 1/20 0.59
BMPR1A P36894 1/20 0.59
ACVR1B P36896 1/20 0.59
TGFBR1 P36897 1/20 0.59
ACVR1 Q04771 1/20 0.59

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
SCHEMBL2314134 1.00 OPRD1 (0.62) OPRD1KDRKITPDGFRAFLT4
SCHEMBL16226914 0.85 IDO1 (0.53) OPRD1KDRKITPDGFRAFLT4
SCHEMBL3366320 0.85 MEN1 (0.64) OPRD1KDRKITPDGFRAFLT4
SCHEMBL638027 0.84 MAOA (0.64) KDM4ESMN1; SMN2MKNK2MAOAMAOB
SCHEMBL2114985 0.83 KLK7 (0.70) OPRD1KDRKITPDGFRAFLT4
SCHEMBL2114989 0.83 KLK7 (0.70) OPRD1KDRKITPDGFRAFLT4
SCHEMBL16226082 0.80 IDO1 (0.47) OPRD1KDRKITPDGFRAFLT4
SCHEMBL846752 0.80 KLK7 (0.53) OPRD1KDRKITPDGFRAFLT4
SCHEMBL30801445 0.80 CYP19A1 (0.66) OPRD1KDRKITPDGFRAFLT4
SCHEMBL2188208 0.80 KDM4E (0.53) OPRD1KDRKITPDGFRAFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113519842-A Composite biological enzyme and application thereof in carrot fruit and vegetable juice 北京牵手果蔬饮品股份有限公司 2021-10-22 CN disclosed
CN-113412895-A Beverage for improving eyesight by promoting absorption and preparation method and application thereof 黄轲 2021-09-21 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 US disclosed
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 US disclosed
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 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
EP-1807410-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI Limited (GB) 2007-07-18 EP disclosed
WO-2006046071-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2006-05-04 WO disclosed
JP-2001064102-A ANIMAL REPELLING MATERIAL DAINIPPON TORYO CO LTD 2001-03-13 JP 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 (3 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 OPRD1 107/4885KDR 2467/4885KIT 822/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 OPRD1 2509/4885KDR 2582/4885KIT 3221/4885
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA MKI67, TP53, CCNA1 OPRD1 3815/4885KDR 4065/4885KIT 1254/4885

“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.