SCHEMBL5859144

SCHEMBL5859144

COC1=C(OC)C(=O)C(Cc2ccc(-c3ccccc3)c(C(=O)N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
PLAUR Q03405 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP46A1 Q9Y6A2 2/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PARP1 P09874 1/20 0.40
PKM P14618 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 0.93 RAB9A (0.47) PLAURALDH1A1CYP46A1KDM4EPOLB
SCHEMBL5859316 0.93 CYP1A2 (0.42) EPHX1PLAURALDH1A1PDCD1CD274
SCHEMBL5859252 0.92 CYP46A1 (0.48) ALDH1A1CYP46A1LMNAKDM4EHPGD
SCHEMBL5859901 0.91 RAB9A (0.47) PLAURALDH1A1CYP46A1CNR1KDM4E
SCHEMBL5859921 0.90 TSHR (0.46) ALDH1A1CYP46A1LMNATSHRPOLB
SCHEMBL5859251 0.90 HTT (0.43) PLAURALDH1A1CYP46A1FNTAFNTB
SCHEMBL6095118 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBPKM
SCHEMBL6095332 0.86 KCNH2 (0.43) ALDH1A1KDM4EHPGDPARP1PKM
SCHEMBL6097631 0.85 ALDH1A1 (0.44) ALDH1A1LMNATSHRCNR1KDM4E
SCHEMBL6097512 0.84 HSD17B10 (0.51) ALDH1A1LMNATSHRKDM4EHPGD

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 EPHX1 3524/4885PLAUR 4420/4885ALDH1A1 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.