SCHEMBL6095729

SCHEMBL6095729

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPK1 P28482 1/20 0.40
AVPR2 P30518 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.40
PDE3A Q14432 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
SCHEMBL6096506 0.83 KDM4E (0.50) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6095501 0.81 TSHR (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6094843 0.81 NPC1 (0.51) ALDH1A1KDM4EHPGDCYP2C9MAPT
SCHEMBL6097925 0.80 PTGER1 (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6097777 0.80 USP2 (0.44) ALDH1A1HTTKMT2A
SCHEMBL6097419 0.78 P2RX1 (0.46) CYP2C9CYP3A4LMNAMAOAAVPR2
SCHEMBL6096132 0.78 POLB (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6097064 0.77 KDM4E (0.45) ALDH1A1KDM4EHPGDHTTHIF1A
SCHEMBL6096932 0.75 KLKB1 (0.55) ALDH1A1CYP2C9MAPTTDP1CYP3A4
SCHEMBL6093775 0.75 PPARA (0.43) ALDH1A1KDM4EHPGDHSD17B10CYP2C9

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 HMGB1 226/4885ALDH1A1 1508/4885KDM4E 1491/4885

“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.