SCHEMBL6094843

SCHEMBL6094843

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)Nc3ccc(OC)cc3)c2O)=C(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KDR P35968 1/20 0.50
PNLIP P16233 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MT-CO2 P00403 1/20 0.47
TOP1 P11387 1/20 0.47
PTGS2 P35354 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
AHR P35869 1/20 0.46
METAP2 P50579 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6097419 0.88 P2RX1 (0.46) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL6095316 0.87 NPC1 (0.46) NPC1RAB9AKDRPNLIPLMNA
SCHEMBL6096041 0.83 MEN1 (0.48) NPC1RAB9AKDRLMNAALDH1A1
SCHEMBL6097105 0.83 MEN1 (0.50) NPC1RAB9AKDRALDH1A1KDM4E
SCHEMBL6096132 0.83 POLB (0.52) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL6095729 0.81 HMGB1 (0.44) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL6093802 0.81 NPC1 (0.52) NPC1RAB9AKDRPNLIPLMNA
SCHEMBL6095441 0.79 MEN1 (0.52) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL6097064 0.79 KDM4E (0.45) NPC1RAB9AKDRALDH1A1KDM4E
SCHEMBL6096161 0.78 MAOB (0.54) NPC1RAB9ALMNAALDH1A1KDM4E

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 NPC1 1501/4885RAB9A 3710/4885KDR 3259/4885

“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.