SCHEMBL7196531

SCHEMBL7196531

CCCCc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 1/20 0.47
FDPS P14324 1/20 0.45
TRIM24 O15164 1/20 0.43
HPGD P15428 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ALOX5 P09917 5/20 0.41
HTR1A P08908 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
AOX1 Q06278 1/20 0.40
MAPK1 P28482 1/20 0.39
TTR P02766 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
SCHEMBL27002149 0.95 ALOX5 (0.47) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL7190150 0.93 ALOX5 (0.50) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL919081 0.89 ALDH1A1 (0.50) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL150381 0.84 ALDH1A1 (0.46) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL13397473 0.82 ALDH1A1 (0.38) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL6556526 0.81 ALDH1A1 (0.53) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL7127829 0.79 ALOX5 (0.59) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL5141831 0.79 ACHE (0.48) HPGDALOX5MAPK1
SCHEMBL7462928 0.77 FDPS (0.51) ALDH1A1TSHRFDPSHPGDMAPK1
SCHEMBL27947309 0.77 NPC1 (0.48) ALDH1A1HPGDALOX5HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103467281-A Phenol derivative and application thereof WUHAN INNERSE PHARMACEUTICALS CO LTD 2013-12-25 CN disclosed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 WO 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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 ALDH1A1 88/4885TSHR 1982/4885FDPS 80/4885

“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.