SCHEMBL6409586

SCHEMBL6409586

OCC1(c2ccc(F)cc2)OC1c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.42
FFAR2 O15552 2/20 0.34
PTGS2 P35354 1/20 0.33
NPY5R Q15761 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL6504421 1.00 KCNN4 (0.42) KCNN4FFAR2PTGS2NPY5RHTR2C
SCHEMBL6508783 1.00 KCNN4 (0.42) KCNN4FFAR2PTGS2NPY5RHTR2C
SCHEMBL10444517 0.88 PTGS2 (0.38) KCNN4PTGS2HTR2CHTR2AHTR2B
SCHEMBL6511952 0.87 KCNN4 (0.40) KCNN4PTGS2NPY5RHTR2CHTR2A
SCHEMBL28334494 0.86 KCNN4 (0.40) KCNN4PTGS2NPY5RHTR2CHTR2A
SCHEMBL6503437 0.86 KCNN4 (0.40) KCNN4PTGS2NPY5RHTR2CHTR2A
SCHEMBL10444313 0.85 KCNN4 (0.41) KCNN4PTGS2HTR2CHTR2BTDP1
SCHEMBL9725044 0.83 KCNN4 (0.32) KCNN4HTR2CHTR2AHTR2BTDP1
SCHEMBL9725042 0.83 KCNN4 (0.32) KCNN4HTR2CHTR2AHTR2BTDP1
SCHEMBL9725047 0.83 KCNN4 (0.32) KCNN4HTR2CHTR2AHTR2BTDP1

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
US-20200029564-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20200029564-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
EP-3519405-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-08-07 EP disclosed
WO-2018060090-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
WO-2018060090-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
EP-1399437-B1 METHOD FOR THE PRODUCTION OF TRIAZOLYLMETHYLEPOXIDES BASF AG (DE) 2005-01-26 EP disclosed
EP-1399437-A1 METHOD FOR THE PRODUCTION OF TRIAZOLYLMETHYLEPOXIDES BASF AKTIENGESELLSCHAFT (DE) 2004-03-24 EP disclosed
EP-1395580-A1 METHOD FOR THE PURIFICATION OF TRIAZOLYLMETHYLEPOXIDES BASF AKTIENGESELLSCHAFT (DE) 2004-03-10 EP disclosed
WO-2002094818-A1 METHOD FOR THE PRODUCTION OF TRIAZOLYLMETHYLEPOXIDES BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 WO disclosed
WO-2002094817-A1 METHOD FOR THE PURIFICATION OF TRIAZOLYLMETHYLEPOXIDES BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 WO disclosed
EP-0379081-A2 Process for the preparation of 1-hydroxymethyl oxiranes Z-substituted in position 2 BASF Aktiengesellschaft (DE) 1990-07-25 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-20200029564-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES PIP5K1B, IPMK, IPO5 KCNN4 4235/4885FFAR2 3636/4885PTGS2 781/4885

“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.