SCHEMBL6096874

SCHEMBL6096874

COC1=C(OC)C(=O)C(Cc2ccc(OCc3ccccc3)c(C(=O)O)c2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.56
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXRA P19793 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CFD P00746 1/20 0.42
PTGER1 P34995 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL6096088 0.92 FOLH1 (0.46) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL6096073 0.91 MCL1 (0.49) FOLH1L3MBTL1CTSVCTSLMRGPRX4
SCHEMBL6097833 0.89 LRRK2 (0.45) FOLH1MRGPRX4
SCHEMBL6097508 0.88 CFD (0.48) FOLH1KDM4EALDH1A1MRGPRX4CFD
SCHEMBL6094941 0.85 KDM4E (0.47) FOLH1KDM4EALDH1A1POLBCFD
SCHEMBL6095437 0.85 SCN9A (0.48) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL6096243 0.84 LRRK2 (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6097214 0.84 CFD (0.64) FOLH1KDM4EALDH1A1MRGPRX4CFD
SCHEMBL6097512 0.84 HSD17B10 (0.51) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL6098381 0.83 CFD (0.43) FOLH1KDM4EALDH1A1MRGPRX4FFAR4

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 4001/4885KDM4E 1491/4885ALDH1A1 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.