SCHEMBL6094565

SCHEMBL6094565

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)NC3CC3)c2)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
CNR1 P21554 8/20 0.42
CNR2 P34972 8/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
BRD4 O60885 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6096254 0.95 CNR1 (0.47) CNR1CNR2NPC1RAB9AKDM4E
SCHEMBL6095325 0.86 CFD (0.43) TAS1R3TAS1R1TAS1R2CNR1CNR2
SCHEMBL5859129 0.83 CCR3 (0.39) CNR1CNR2
SCHEMBL6096932 0.82 KLKB1 (0.55) ALDH1A1LMNAHTTMAPT
SCHEMBL6096473 0.81 L3MBTL1 (0.47) CNR1CNR2RAB9AKDM4EALDH1A1
SCHEMBL6093802 0.80 NPC1 (0.52) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL5862115 0.80 ROCK2 (0.41) CNR1CNR2RAB9AALDH1A1LMNA
SCHEMBL5859099 0.79 CNR2 (0.42) CNR1CNR2RAB9AALDH1A1LMNA
SCHEMBL6097408 0.79 P2RX1 (0.51) KDM4EMAPT
SCHEMBL6095585 0.79 KCNMA1 (0.47) NPC1RAB9AKDM4EALDH1A1LMNA

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 TAS1R3 4311/4885TAS1R1 3632/4885TAS1R2 3986/4885

“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.