SCHEMBL4831306

SCHEMBL4831306

COC(=O)c1cccc(-c2ccccc2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.56
▸ SLC6A3 Q01959 5/20 0.55
▸ SLC6A4 P31645 3/20 0.55
▸ HTT P42858 2/20 0.52
▸ PDCD1 Q15116 1/20 0.52
▸ CD274 Q9NZQ7 1/20 0.52
▸ GAA P10253 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TOP2A P11388 1/20 0.48
▸ GABRA1 P14867 1/20 0.48
▸ GABRG2 P18507 1/20 0.48
▸ GABRB3 P28472 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48

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
SCHEMBL13568102 0.87 SLC6A3 (0.53) NR1H4SLC6A3SLC6A4HTTPDCD1
SCHEMBL6535963 0.87 PDCD1 (0.49) NR1H4SLC6A3SLC6A4HTTPDCD1
SCHEMBL4632581 0.86 HNF4A (0.58) NR1H4HTTGAAKDM4EPOLB
SCHEMBL27890118 0.86 NR1H4 (0.56) NR1H4SLC6A3SLC6A4HTTGAA
SCHEMBL30394743 0.86 HNF4A (0.58) NR1H4HTTGAAKDM4EPOLB
SCHEMBL184016 0.86 SLC6A3 (0.72) NR1H4SLC6A3SLC6A4KDM4ESLC6A2
SCHEMBL17799595 0.85 HNF4A (0.56) NR1H4HTTGAAKDM4EPOLB
SCHEMBL1775832 0.84 SLC6A3 (0.74) SLC6A3SLC6A4PDCD1CD274GAA
SCHEMBL27843639 0.84 SLC6A3 (0.74) SLC6A3SLC6A4HTTPDCD1CD274
SCHEMBL30504310 0.83 BCAT2 (0.62) NR1H4HTTGAAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 — — US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 — — US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 — — US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 — — US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 — — US disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 — — EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 — — WO disclosed
US-3984940-A Degradable plastic REICH MURRAY 1976-10-12 — — 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 (2 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B NR1H4 185/4885SLC6A3 2883/4885SLC6A4 2919/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B NR1H4 185/4885SLC6A3 2883/4885SLC6A4 2919/4885

“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.

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