SCHEMBL16029005

SCHEMBL16029005

Oc1ncn(-c2ccc(OC(F)(F)C(F)(F)F)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.35
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL10360384 0.88 RXRA (0.42) RXRAGRIN1GRIN2BPOLBMAPT
SCHEMBL14617274 0.82 RXRA (0.35) RXRAGRIN1GRIN2BCYP1A2CYP2D6
SCHEMBL14617483 0.82 RXRA (0.38) RXRAGRIN1GRIN2BPOLBCYP1A2
SCHEMBL10360310 0.76 NOTUM (0.44) TDP1
SCHEMBL6132524 0.76 CYP1A2 (0.47) POLBCYP1A2CYP2C9MAPT
SCHEMBL1259350 0.75 PTGS2 (0.37) RXRAGRIN1GRIN2BPOLBBLM
SCHEMBL2743397 0.75 RXRA (0.37) RXRAGRIN1GRIN2BCYP2D6CYP2C9
SCHEMBL17454712 0.75 S1PR1 (0.34) RXRAGRIN1GRIN2BPOLBBLM
SCHEMBL1260336 0.75 ALDH1A1 (0.39)
SCHEMBL19503068 0.74 MAPKAPK2 (0.43) POLBBLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014186027-A1 PROCESS FOR THE PREPARATION OF TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-11-20 WO disclosed
WO-2014158650-A1 PREPARATION OF TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
WO-2014158644-A1 PROCESS FOR THE PREPARATION OF TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
WO-2014158647-A1 PREPARATION OF TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
WO-2014158646-A1 IMPROVED PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
US-20140275565-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275564-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275504-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275503-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275502-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES DOW AGROSCIENCES LLC (US) 2014-09-18 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 (5 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-20140275564-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES B3GAT3, UGGT1, UGT1A3 RXRA 150/4885GRIN1 3061/4885GRIN2B 3395/4885
US-20140275504-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES BCR, BCHE, C9 RXRA 215/4885GRIN1 4321/4885GRIN2B 4027/4885
US-20140275503-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES CA6, CA7, CA4 RXRA 248/4885GRIN1 4579/4885GRIN2B 3998/4885
US-20140275502-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES BCHE, LRAT, B3GAT3 RXRA 109/4885GRIN1 3605/4885GRIN2B 3435/4885
US-20140275565-A1 PROCESS FOR THE PREPARATION OF CERTAIN TRIARYL RHAMNOSE CARBAMATES UGGT1, UGDH, UGT1A3 RXRA 286/4885GRIN1 3684/4885GRIN2B 4489/4885

“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.