SCHEMBL6097409

SCHEMBL6097409

COC(=O)c1cc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)ccc1OCc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.45
SMPD1 P17405 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 3/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
BLM P54132 1/20 0.40
RECQL P46063 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6096061 0.91 SYK (0.47) LRRK2SMPD1LMNAHSD17B10MRGPRX1
SCHEMBL6096129 0.88 PLK1 (0.40) LRRK2LMNAHSD17B10TSHRKDM4E
SCHEMBL5859909 0.88 FOLH1 (0.46) SMPD1LMNAALDH1A1HPGDCYP2C19
SCHEMBL6096049 0.85 SCN9A (0.42) LRRK2
SCHEMBL6095393 0.83 P2RY12 (0.46) LMNAHSD17B10KDM4EALDH1A1HPGD
SCHEMBL5858984 0.82 SLC2A1 (0.47) SMPD1KDM4ECYP1A2CYP2C19
SCHEMBL5859201 0.80 SLC2A1 (0.45) SMPD1
SCHEMBL27581102 0.80 ALDH1A1 (0.46) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL5859832 0.80 FFAR4 (0.47) LMNAKDM4EALDH1A1HPGDCYP2C19
SCHEMBL5860287 0.79 FOLH1 (0.57) KDM4EALDH1A1CYP2C19L3MBTL1

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 LRRK2 1828/4885SMPD1 4491/4885LMNA 1361/4885

“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.