SCHEMBL5859939

SCHEMBL5859939

COc1c(C)c(Cc2ccncc2-c2ccccc2C(=O)O)c(OC)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ BRS3 P32247 4/20 0.38
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ KDM4C Q9H3R0 3/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ RAB9A P51151 2/20 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
SCHEMBL27581186 0.91 KMT2A (0.40) CCNCCDK8GAAKMT2A
SCHEMBL5859139 0.91 MAPK1 (0.38) DHODHMAPK1BRS3KDM4CRAB9A
SCHEMBL27598662 0.82 KMT2A (0.40) GAAKMT2A
SCHEMBL5859828 0.79 KCNA5 (0.33) BRS3KMT2A
SCHEMBL5859096 0.78 BRS3 (0.42) BRS3
SCHEMBL27581183 0.77 TDP1 (0.33) —
SCHEMBL5859135 0.77 ROCK2 (0.41) BRS3KDM4CLTB4R2CYP2C9HIF1A
SCHEMBL5859844 0.77 KDM4E (0.39) DHODHKDM4C
SCHEMBL27598671 0.76 POLB (0.41) CCNCCDK8KMT2ACYP2C9
SCHEMBL5859147 0.75 MKNK1 (0.43) CYP2C9

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 DHODH 3317/4885MAPK1 759/4885BRS3 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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