SCHEMBL5859237

SCHEMBL5859237

COc1c(C)c(Cc2ccc(C(=O)N3CCCCC3)c(-c3cccnc3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTT P42858 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL5858943 0.93 CYP2C9 (0.46) CYP2C9ABL1BCRHPGDMEN1
SCHEMBL5862071 0.91 JAK2 (0.44) CYP2C9ABL1BCRHPGDMEN1
SCHEMBL5859147 0.85 MKNK1 (0.43) CYP2C9CYP11B1CYP11B2HTTTUBB4A
SCHEMBL5862129 0.84 HTT (0.44) CYP2C9ABL1BCRHPGDMEN1
SCHEMBL5859201 0.84 SLC2A1 (0.45) CYP2C9CYP11B1CYP11B2TUBB4ATUBB
SCHEMBL6096946 0.83 DRD2 (0.42) ABL1BCRALDH1A1KMT2ASCN9A
SCHEMBL6096049 0.82 SCN9A (0.42) SCN9A
SCHEMBL5859084 0.82 CYP46A1 (0.47) CYP2C9SCN9A
SCHEMBL5859265 0.82 CYP2C9 (0.42) CYP2C9ABL1BCRHPGDMEN1
SCHEMBL5859180 0.81 CYP2C9 (0.43) CYP2C9ABL1BCRHPGDMEN1

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-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
CN-1505603-A Substituted benzoic ac id derivatives exhibiting nf-kappab inhibiting activity ��һ��������ҩ��ʽ���� 2004-06-16 CN disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB CYP2C9 1705/4885ABL1 2573/4885BCR 467/4885

“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.