SCHEMBL6803833

SCHEMBL6803833

COc1cc(CCNC(=O)C(=CO)c2ccc(C)cc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
THRB P10828 1/20 0.56
NOX4 Q9NPH5 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MAPT P10636 1/20 0.51
TYR P14679 1/20 0.50
ACHE P22303 1/20 0.50
ALOX5 P09917 1/20 0.50
OR51E2 Q9H255 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 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
SCHEMBL6803831 1.00 ALDH1A1 (0.58) ALDH1A1THRBNOX4MTNR1AMTNR1B
SCHEMBL6796158 0.91 ALDH1A1 (0.70) ALDH1A1THRBMAPTCA1CA2
SCHEMBL6796160 0.91 ALDH1A1 (0.70) ALDH1A1THRBMAPTCA1CA2
SCHEMBL6807898 0.90 GAA (0.60) ALDH1A1NOX4MTNR1AMTNR1BTYR
SCHEMBL6796893 0.90 GAA (0.60) ALDH1A1NOX4MTNR1AMTNR1BTYR
SCHEMBL6796891 0.90 GAA (0.60) ALDH1A1NOX4MTNR1AMTNR1BTYR
SCHEMBL6797880 0.85 ALDH1A1 (0.52) ALDH1A1THRBNOX4MTNR1AMTNR1B
SCHEMBL6797885 0.85 ALDH1A1 (0.52) ALDH1A1THRBNOX4MTNR1AMTNR1B
SCHEMBL6802468 0.84 ALDH1A1 (0.61) ALDH1A1THRBMTNR1AMTNR1BMAPT
SCHEMBL6802471 0.84 ALDH1A1 (0.61) ALDH1A1THRBMTNR1AMTNR1BMAPT

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-6762321-B2 SUCH AS N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3-DIFLUOROMETHOXY-2-(4 -METHYLPHENYL)ACRYLAMIDE; FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030195354-A1 Amide compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-16 US disclosed
EP-1295868-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-26 EP 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-20030195354-A1 Amide compounds and use thereof CBR1, CBR3, NAT1 ALDH1A1 244/4885THRB 3020/4885NOX4 331/4885

“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.