SCHEMBL5859253

SCHEMBL5859253

COc1c(C)c(Cc2cccc(O)c2C=O)c(OC)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
THRB P10828 2/20 0.36
LCK P06239 1/20 0.36
GLA P06280 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
AR P10275 3/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
PTK2 Q05397 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALK Q9UM73 1/20 0.33
IMPDH2 P12268 1/20 0.33
CETP P11597 1/20 0.33
ALOX5 P09917 1/20 0.33
ERN1 O75460 2/20 0.32

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
SCHEMBL5859920 0.81 ERN1 (0.48) CA1CA2SRCIMPDH2ERN1
SCHEMBL5859187 0.81 HSPA5 (0.48) CA1CA2MAPTCETPCYP1A2
SCHEMBL6095843 0.77 L3MBTL1 (0.46) MAPTALDH1A1TDP1
SCHEMBL5429057 0.75 HSPA5 (0.50) CA1CA2ALDH1A1ERN1MEN1
SCHEMBL27596110 0.74 KDM4E (0.45) ALDH1A1MEN1KMT2A
SCHEMBL27596111 0.74 TLR2 (0.42) CA1CA2ALDH1A1SRCERN1
SCHEMBL6096263 0.73 HMGB1 (0.46) MAPTALDH1A1TLR2TLR1TLR6
SCHEMBL27578054 0.72 CNR2 (0.35) ALDH1A1CETPMEN1KMT2A
SCHEMBL5859425 0.72 ALDH1A1 (0.40) CA1CA2MAPTALDH1A1CYP1A2
SCHEMBL5731523 0.71 PTGER3 (0.50) CA1CA2

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 6 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
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
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-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
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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 (2 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 CA1 4533/4885CA2 4053/4885MAPT 2457/4885
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB CA1 2333/4885CA2 716/4885MAPT 4242/4885

“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.