SCHEMBL4100533

SCHEMBL4100533

CCCCCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
CNR2 P34972 3/20 0.38
SMPD1 P17405 2/20 0.38
CNR1 P21554 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
P2RY14 Q15391 1/20 0.36
AGER Q15109 1/20 0.36
ICMT O60725 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL4682811 0.90 TLR8 (0.41) TLR8CTSSCTSKHDAC3HDAC4
SCHEMBL4106505 0.89 TLR8 (0.50) TLR8CNR2SMPD1CTSSCTSK
SCHEMBL5016834 0.84 CTSS (0.39) TLR8CTSSCTSKHDAC3HDAC4
SCHEMBL5023766 0.79 KCNJ6 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4685144 0.79 TLR8 (0.42) TLR8CTSSCTSK
SCHEMBL4095588 0.78 SMN1; SMN2 (0.51) TLR8AGER
SCHEMBL4679427 0.77 TLR8 (0.41) TLR8CTSSCTSKAGERHDAC3
SCHEMBL4099277 0.77 HDAC3 (0.39) TLR8CNR2SMPD1HDAC3HDAC4
SCHEMBL4682071 0.75 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6287159 0.75 HDAC3 (0.41) TLR8CTSSCTSKAGERHDAC3

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-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta NIPPON CHEMIPHAR CO., LTD. (JP) 2009-09-24 US disclosed
EP-1854784-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR ACTIVATING RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2007-11-14 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-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta PPARG, PPARA, PPARD TLR8 1017/4885CNR2 271/4885SMPD1 1510/4885

“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.