SCHEMBL6872023

SCHEMBL6872023

COc1ccc(C2CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 2/20 0.42
ACHE P22303 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL12769106 0.91 DRD2 (0.45) PROKR1HTR2C
SCHEMBL3139821 0.91 PTGDR2 (0.50) PROKR1MEN1KMT2AHTR2CCHRNA7
SCHEMBL5584891 0.88 HTR2C (0.59) MEN1KMT2AHTR2CHTR3EHTR3B
SCHEMBL12769105 0.87 DRD2 (0.42) PROKR1HTR2C
SCHEMBL16892000 0.85 MMP2 (0.45) PROKR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14142880 0.84 GRM7 (0.44) MEN1KMT2AHTR2CCHRNA7NOS3
SCHEMBL30888638 0.83 PTGDR2 (0.45) MEN1KMT2AHTR2CCHRNB2CHRNB4
SCHEMBL13324153 0.81 DRD2 (0.44) PROKR1HTR2C
SCHEMBL878954 0.80 MTNR1A (0.41) MEN1KMT2AHTR2CMAPT
SCHEMBL23268487 0.80 MEN1 (0.58) MEN1KMT2AHTR2CPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271160-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2016-09-22 US disclosed
US-20160271160-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2016-09-22 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1401388-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2004-03-31 EP disclosed
WO-2003002084-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2003-01-09 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 (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-20160271160-A1 HCV POLYMERASE INHIBITORS POLI, POLB, POLL PROKR1 3939/4885MEN1 4879/4885KMT2A 2713/4885

“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.