SCHEMBL5859244

SCHEMBL5859244

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)N3CCCCC3)c2-c2ccncc2)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.37
SCN9A Q15858 4/20 0.36

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
SCHEMBL5860204 0.90 CYP2C9 (0.41) SMN1; SMN2GLATSHRALDH1A1KMT2A
SCHEMBL6095501 0.83 TSHR (0.43) SMN1; SMN2GLATSHRKDM4EALDH1A1
SCHEMBL6660693 0.83 CYP2C9 (0.36) SMN1; SMN2GLATSHRKDM4EALDH1A1
SCHEMBL5859246 0.80 CYP46A1 (0.49) CYP46A1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL5859304 0.80 CYP46A1 (0.43) CYP46A1SMN1; SMN2GLATSHRKDM4E
SCHEMBL6096412 0.80 TSHR (0.42) SMN1; SMN2GLATSHRKDM4EALDH1A1
SCHEMBL5860280 0.78 CYP46A1 (0.42) CYP46A1SMN1; SMN2GLATSHRKDM4E
SCHEMBL6095933 0.77 SCN9A (0.55) SMN1; SMN2TSHRALDH1A1KMT2AHTT
SCHEMBL6095989 0.75 GAA (0.39) CYP46A1SMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL5859043 0.75 ALDH1A1 (0.46) TSHRKDM4EALDH1A1KMT2ACYP2C9

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 709/4885SMN1; SMN2 3711/4885GLA 2250/4885

“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.