SCHEMBL5859901

SCHEMBL5859901

COC1=C(OC)C(=O)C(Cc2ccc(-c3cccc(OC)c3)c(C(=O)N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PLAUR Q03405 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
BTK Q06187 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
PTGS2 P35354 1/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL5859912 0.91 RAB9A (0.47) RAB9ANPC1L3MBTL1PLAURMEN1
SCHEMBL5859097 0.91 ALDH1A1 (0.45) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5859144 0.91 EPHX1 (0.43) PLAURALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5859251 0.87 HTT (0.43) PLAURMEN1KMT2AJAK2JAK1
SCHEMBL5859252 0.87 CYP46A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10CYP46A1
SCHEMBL6096165 0.86 L3MBTL1 (0.47) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL5859316 0.84 CYP1A2 (0.42) PLAURALDH1A1KDM4EHPGDCNR1
SCHEMBL6095332 0.83 KCNH2 (0.43) L3MBTL1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6095118 0.83 ALDH1A1 (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5858838 0.83 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 US 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB RAB9A 3262/4885NPC1 2254/4885L3MBTL1 2511/4885

“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.