SCHEMBL6764211

SCHEMBL6764211

CC(C)(C)Oc1cccc(C(F)(F)F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
P2RX7 Q99572 1/20 0.36
KCNH2 Q12809 1/20 0.36
MPL P40238 4/20 0.36
HSD11B1 P28845 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ULK1 O75385 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CTSS P25774 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
AR P10275 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL13020168 0.84 HSD11B1 (0.42) IDO1HSD11B1RXRASLC22A12MRGPRX4
SCHEMBL4511619 0.80 AR (0.44) IDO1TDO2ULK1AR
SCHEMBL17036744 0.80 MPL (0.44) KCNH2MPLHSD11B1
SCHEMBL28468855 0.79 IDO1 (0.41) IDO1TDO2MPLHSD11B1ULK1
SCHEMBL13019837 0.78 SLC6A2 (0.43) KCNH2
SCHEMBL29324775 0.77 CA2 (0.39) MPLRXRA
SCHEMBL17037514 0.77 MPL (0.42) MPLHSD11B1SLC22A12
SCHEMBL18308923 0.76 KCNH2 (0.38) KCNH2MPLRXRAGRIN1GRIN2B
SCHEMBL12299460 0.76 KCNK3 (0.47) IDO1TDO2RXRACTSSAR
SCHEMBL1566030 0.74 KCNH2 (0.37) KCNH2MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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 (2 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B IDO1 2999/4885TDO2 3386/4885P2RX7 4162/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 IDO1 515/4885TDO2 150/4885P2RX7 2905/4885

“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.