SCHEMBL6097977

SCHEMBL6097977

COC1=C(OC)C(=O)C(Cc2cccc(OCc3ccccc3)c2C(=O)O)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.54
MRGPRX4 Q96LA9 1/20 0.44
RXRA P19793 2/20 0.43
PTGER1 P34995 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EDNRA P25101 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
ATM Q13315 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
SCHEMBL6096161 0.84 MAOB (0.54) MAPTMEN1KMT2AABCB1
SCHEMBL6097925 0.82 PTGER1 (0.42) MRGPRX4PTGER1L3MBTL1MEN1KMT2A
SCHEMBL6097365 0.81 FOLH1 (0.53) FOLH1MRGPRX4RXRAPTGER1L3MBTL1
SCHEMBL6096073 0.78 MCL1 (0.49) FOLH1MRGPRX4RXRAPTGER1L3MBTL1
SCHEMBL6096874 0.78 FOLH1 (0.56) FOLH1MRGPRX4RXRAPTGER1L3MBTL1
SCHEMBL6095629 0.76 FOLH1 (0.55) FOLH1MRGPRX4RXRAPTGER1L3MBTL1
SCHEMBL5710686 0.73 TRAP1 (0.51) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL8204822 0.73 FOLH1 (0.69) FOLH1MRGPRX4RXRAPTGER1L3MBTL1
SCHEMBL6095933 0.73 SCN9A (0.55) MAPTMEN1KMT2A
SCHEMBL6095729 0.72 HMGB1 (0.44) MAPTMAPK1TDP1KMT2A

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 FOLH1 4001/4885MRGPRX4 3793/4885RXRA 2623/4885

“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.