SCHEMBL5859139

SCHEMBL5859139

COc1c(C)c(Cc2cnccc2-c2ccccc2C(=O)O)c(OC)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ BRS3 P32247 5/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ KDM4C Q9H3R0 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MYC P01106 1/20 0.35
▸ KDM6B O15054 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ IKBKB O14920 1/20 0.34

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
SCHEMBL27598662 0.91 KMT2A (0.40) KCNA5KCNK3KCNH2GAAKMT2A
SCHEMBL5859939 0.91 DHODH (0.39) MAPK1BRS3DHODHKDM4CRAB9A
SCHEMBL5859828 0.87 KCNA5 (0.33) KCNA5BRS3KCNK3KCNH2KMT2A
SCHEMBL27581183 0.86 TDP1 (0.33) KCNA5KCNK3KCNH2
SCHEMBL27581186 0.82 KMT2A (0.40) GAAKMT2A
SCHEMBL5859096 0.78 BRS3 (0.42) BRS3KCNH2
SCHEMBL5859005 0.78 TBXAS1 (0.41) MAPK1KCNA5BRS3KDM4CRAB9A
SCHEMBL5859135 0.77 ROCK2 (0.41) BRS3KDM4CCYP2C9HIF1AIKBKB
SCHEMBL5859844 0.77 KDM4E (0.39) DHODHKDM4C
SCHEMBL27581097 0.76 POLB (0.41) KMT2ACYP2C9

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 3 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
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 MAPK1 759/4885KCNA5 1736/4885BRS3 1988/4885

“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.

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