SCHEMBL6094867

SCHEMBL6094867

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
TOP1 P11387 1/20 0.44
MAPT P10636 2/20 0.42
PDE7A Q13946 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40

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
SCHEMBL6095900 0.90 KMT2A (0.47) ALDH1A1PKMHTTTOP1MAPT
SCHEMBL6095101 0.87 TOP1 (0.44) ALDH1A1PKMTDP1HTTTOP1
SCHEMBL6093802 0.86 NPC1 (0.52) ALDH1A1PKMTDP1MAPTMEN1
SCHEMBL6095585 0.85 KCNMA1 (0.47) ALDH1A1TDP1HTTMAPTSMN1; SMN2
SCHEMBL6097408 0.85 P2RX1 (0.51) MAPTMEN1KMT2ATMPRSS4
SCHEMBL6097073 0.85 KLKB1 (0.43) PKMMAPTMEN1KMT2A
SCHEMBL6097223 0.85 P2RX1 (0.47) PKMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6096677 0.84 P2RX1 (0.58) MEN1KMT2ATMPRSS4
SCHEMBL6096291 0.84 F2 (0.43) PKMTDP1MAPTMEN1KMT2A
SCHEMBL6096550 0.84 PLAU (0.43) ALDH1A1PKMMAPTSMN1; SMN2MEN1

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-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
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
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
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 (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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB ALDH1A1 1508/4885PKM 3525/4885TDP1 2530/4885

“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.