SCHEMBL5897708

SCHEMBL5897708

CC(OC(C)C(F)OCc1ccccc1)C(F)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
RCE1 Q9Y256 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
IDO1 P14902 1/20 0.39
MAPT P10636 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL19481444 0.82 RCE1 (0.47) TSHRRCE1TAAR1SLC6A2SIGMAR1
SCHEMBL4523645 0.79 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3IDO1
SCHEMBL96685 0.75 TSHR (0.48) TSHRRCE1TAAR1SLC6A2SIGMAR1
SCHEMBL20463639 0.75 RCE1 (0.49) TSHRRCE1TAAR1SLC6A2MAOA
SCHEMBL2554445 0.75 TAAR1 (0.52) TSHRTAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3701482 0.75 TSHR (0.48) TSHRRCE1TAAR1SLC6A2SIGMAR1
SCHEMBL5018878 0.75 RCE1 (0.49) TSHRRCE1TAAR1SLC6A2MAOA
SCHEMBL15003 0.74 TSHR (0.52) TSHRRCE1TAAR1SLC6A2SIGMAR1
SCHEMBL1705503 0.74 TSHR (0.52) TSHRSLC6A2SLC6A4SLC6A3IDO1
SCHEMBL1571975 0.74 TSHR (0.52) TSHRRCE1TAAR1SLC6A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034130-B2 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-04-25 US disclosed
US-20040242858-A1 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2004-12-02 US 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-20040242858-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 TSHR 3684/4885RCE1 132/4885TAAR1 1935/4885

“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.