SCHEMBL9999187

SCHEMBL9999187

CCCCN(C(=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.63
CNR2 P34972 4/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
NPC1 O15118 1/20 0.48
JAK2 O60674 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
S1PR1 P21453 3/20 0.47
KCNH2 Q12809 1/20 0.46
TP53 P04637 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL4140615 0.79 ALOX5 (0.60) MLYCDLTB4R2
SCHEMBL9998819 0.78 POLQ (0.61) MLYCDCNR2NR1H2NR1H3KCNH2
SCHEMBL9295793 0.77 TP53 (0.62) CNR2NPC1JAK2RAB9APAX8
SCHEMBL2942439 0.77 MLYCD (1.00) MLYCDNR1H2NR1H3
SCHEMBL5822143 0.77 NPC1 (0.54) MLYCDNR1H2NR1H3NPC1JAK2
SCHEMBL6543341 0.75 NPC1 (0.59) MLYCDCNR2NPC1JAK2RAB9A
SCHEMBL3647497 0.74 PTGDR2 (0.49) LTB4R2
SCHEMBL9307974 0.73 CNR2 (0.62) CNR2LTB4R2
SCHEMBL19049114 0.73 NPC1 (0.67) MLYCDNPC1JAK2RAB9APAX8
SCHEMBL9483626 0.72 MEN1 (0.53) MLYCDCNR2NPC1RAB9AKCNH2

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-8822519-B2 Compound with agitation effect on peroxisome proliferator-activated receptor process for its preparation and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-09-02 US disclosed
US-20110319458-A1 COMPOUND WITH AGITATION EFFECT ON PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR. PROCESS FOR ITS PREPARATION AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2011-12-29 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 (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-20110319458-A1 COMPOUND WITH AGITATION EFFECT ON PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR. PROCESS FOR ITS PREPARATION AND USE THEREOF PPARG, PPARD, PPARA MLYCD 427/4885CNR2 809/4885NR1H2 16/4885

“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.