SCHEMBL6095010

SCHEMBL6095010

CC(=O)Oc1ccc(CC2=C(C)C(=O)C(C)=C(C)C2=O)cc1C(=O)Nc1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
POLB P06746 4/20 0.45
ALOX12 P18054 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
CFD P00746 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL6095715 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6095856 0.86 POLB (0.47) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6095967 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6095884 0.84 POLB (0.53) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6094733 0.82 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6096656 0.80 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6094169 0.79 POLB (0.45) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6095804 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6095611 0.76 NPC1 (0.47) POLBKMT2ANPC1RAB9ATP53
SCHEMBL6096340 0.76 CFD (0.45) PDE4APDE4BPDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB PDE4A 4132/4885PDE4B 3638/4885PDE4C 4428/4885

“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.