SCHEMBL6096473

SCHEMBL6096473

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)NC3CCCCC3)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CNR2 P34972 9/20 0.42
CNR1 P21554 5/20 0.42
MEN1 O00255 1/20 0.42
EPHX1 P07099 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.42
HPGD P15428 2/20 0.41
CFD P00746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6095325 0.95 CFD (0.43) L3MBTL1RAB9AALDH1A1CNR2CNR1
SCHEMBL6096254 0.87 CNR1 (0.47) L3MBTL1RAB9AALDH1A1CNR2CNR1
SCHEMBL6095925 0.82 SGMS2 (0.46) L3MBTL1RAB9AALDH1A1CNR2CNR1
SCHEMBL6094565 0.81 TAS1R3 (0.42) L3MBTL1RAB9AALDH1A1CNR2CNR1
SCHEMBL5859099 0.81 CNR2 (0.42) L3MBTL1RAB9AALDH1A1CNR2CNR1
SCHEMBL6097214 0.81 CFD (0.64) RAB9AALDH1A1KMT2AHPGDCFD
SCHEMBL6098091 0.80 KMT2A (0.43) ALDH1A1MEN1KMT2AHPGDCFD
SCHEMBL5862115 0.80 ROCK2 (0.41) L3MBTL1RAB9AALDH1A1CNR2CNR1
SCHEMBL6097613 0.79 KMT2A (0.47) L3MBTL1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6098348 0.79 CCR5 (0.48) RAB9AALDH1A1MEN1KMT2AHPGD

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 L3MBTL1 3418/4885RAB9A 3710/4885ALDH1A1 1508/4885

“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.