SCHEMBL5859201

SCHEMBL5859201

COC(=O)c1ccc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)cc1-c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
NR4A2 P43354 2/20 0.43
CFTR P13569 1/20 0.43
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CYP19A1 P11511 2/20 0.42
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
ABCB1 P08183 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41

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
SCHEMBL5858984 0.92 SLC2A1 (0.47) SLC2A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL5859147 0.91 MKNK1 (0.43) SLC2A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL5860413 0.88 PDCD1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5859091 0.84 CYP11B1 (0.42) SLC2A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL5859237 0.84 CYP2C9 (0.44) CYP11B1CYP11B2MKNK1MKNK2TUBB4A
SCHEMBL5862071 0.82 JAK2 (0.44) CYP2C9
SCHEMBL5859037 0.82 MAPT (0.49) ABCB1KDR
SCHEMBL20178609 0.81 CFTR (0.52) SLC2A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL6097409 0.80 LRRK2 (0.45) SMPD1
SCHEMBL27581103 0.80 SLC6A3 (0.44) CYP11B1CYP11B2KDR

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 SLC2A1 2309/4885GABRA1 298/4885GABRG2 538/4885

“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.