SCHEMBL4089679

SCHEMBL4089679

CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)cc1CCC(=O)C1C=CC(C)(O)C=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
GCGR P47871 2/20 0.32
GIPR P48546 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TRPV3 Q8NET8 3/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 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
SCHEMBL4089683 0.78 GCGR (0.32) HTR2AHTR2CHTR2BHDAC6GCGR
SCHEMBL4089672 0.74 TRPV3 (0.43) HTR2AHTR2CHTR2BTRPV3PTGS2
SCHEMBL4094981 0.72 TRPV3 (0.41) HTR2AHTR2CHTR2BTRPV3PTGS2
SCHEMBL3202062 0.72 HTR2A (0.41) HTR2AHTR2CHTR2BHDAC6TRPV3
SCHEMBL4100199 0.69 PPARD (0.45) HTR2AHTR2CHTR2BGCGRGIPR
SCHEMBL24742426 0.68 PPARD (0.38) GCGRGIPR
SCHEMBL12648301 0.68 PPARD (0.38) GCGRGIPR
SCHEMBL30003505 0.68 PPARD (0.38) GCGRGIPR
SCHEMBL1765886 0.68 PPARA (0.48)
SCHEMBL4104227 0.68 PPARD (0.37) GCGRGIPR

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 HTR2A 2656/4885HTR2C 2526/4885HTR2B 2777/4885

“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.