SCHEMBL6097064

SCHEMBL6097064

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2O)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
G6PD P11413 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KCNMA1 Q12791 4/20 0.42
HIF1A Q16665 1/20 0.42
HPGD P15428 3/20 0.40
USP2 O75604 1/20 0.40
STK39 Q9UEW8 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.39
KDR P35968 1/20 0.39
HTT P42858 1/20 0.39
TOP1 P11387 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6096251 0.88 ALDH1A1 (0.41) KDM4EALDH1A1RAB9ANPC1G6PD
SCHEMBL6095729 0.77 HMGB1 (0.44) KDM4EALDH1A1HIF1AHPGDHTT
SCHEMBL6096132 0.75 POLB (0.52) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL6097419 0.75 P2RX1 (0.46) RAB9ANPC1TP53HTT
SCHEMBL6097105 0.72 MEN1 (0.50) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL6095501 0.70 TSHR (0.43) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL6097408 0.70 P2RX1 (0.51) KDM4EKCNMA1GAAMEN1KMT2A
SCHEMBL6097777 0.69 USP2 (0.44) ALDH1A1USP2TP53GAAHTT
SCHEMBL12225787 0.68 KCNMA1 (0.72) KDM4EALDH1A1RAB9ANPC1KCNMA1
SCHEMBL6094169 0.67 POLB (0.45) ALDH1A1RAB9ANPC1TP53KDR

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 KDM4E 1491/4885ALDH1A1 1508/4885RAB9A 3710/4885

“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.