SCHEMBL5859252

SCHEMBL5859252

COC1=C(OC)C(=O)C(Cc2ccc(-c3ccncc3)c(C(=O)N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 14/20 0.48
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NTRK1 P04629 1/20 0.39
PARP1 P09874 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5859144 0.92 EPHX1 (0.43) CYP46A1KDM4EALDH1A1LMNAPARP1
SCHEMBL5859251 0.91 HTT (0.43) CYP46A1ALDH1A1PARP1
SCHEMBL5859246 0.91 CYP46A1 (0.49) CYP46A1KDM4EALDH1A1LMNAHPGD
SCHEMBL5859912 0.90 RAB9A (0.47) CYP46A1KDM4EALDH1A1GAAHPGD
SCHEMBL5859901 0.87 RAB9A (0.47) CYP46A1KDM4EALDH1A1GAAHPGD
SCHEMBL6095888 0.86 ALDH1A1 (0.41) KDM4EALDH1A1PARP1GAA
SCHEMBL6095213 0.85 HSD17B10 (0.42) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL5859316 0.84 CYP1A2 (0.42) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL5859030 0.84 HTT (0.42) CYP46A1KDM4EALDH1A1HPGD
SCHEMBL6095332 0.84 KCNH2 (0.43) KDM4EALDH1A1PARP1HPGD

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 CYP46A1 709/4885KDM4E 652/4885ALDH1A1 1776/4885

“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.