SCHEMBL1498901

SCHEMBL1498901

OCC1(c2ccc(F)cc2F)OC1c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
GAA P10253 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 1/20 0.33
P2RX7 Q99572 3/20 0.32
TACR1 P25103 4/20 0.32
RBP4 P02753 4/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL1498880 0.88 BACE1 (0.41) BACE1GAAHTR2CHTR2BTDP1
SCHEMBL9735755 0.82 HTR2C (0.37) GAAHTR2CHTR2BTDP1TACR1
SCHEMBL9735754 0.82 HTR2C (0.37) GAAHTR2CHTR2BTDP1TACR1
SCHEMBL9735750 0.82 HTR2C (0.37) GAAHTR2CHTR2BTDP1TACR1
SCHEMBL9660957 0.78 HTR2C (0.39) GAAHTR2CHTR2BTDP1RBP4
SCHEMBL9660954 0.78 HTR2C (0.39) GAAHTR2CHTR2BTDP1RBP4
SCHEMBL9660946 0.78 HTR2C (0.39) GAAHTR2CHTR2BTDP1RBP4
SCHEMBL1498917 0.78 SLC5A1 (0.35) BACE1HCAR3HCAR2
SCHEMBL3665134 0.76 BACE1 (0.36) BACE1GAATDP1CYP3A4CYP2C9
SCHEMBL3772086 0.76 BACE1 (0.36) BACE1GAATDP1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011506539-A 2011-03-03 JP claimed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US claimed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP claimed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO claimed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 BACE1 3440/4885GAA 1352/4885HTR2C 2198/4885

“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.