SCHEMBL238941

SCHEMBL238941

O=C(O)C1(c2ccccc2-c2ccccc2)C=CC=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BCAT2 O15382 1/20 0.34
FABP4 P15090 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HNF4A P41235 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL28633624 0.85 ALDH1A1 (0.36) THRBTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL27731834 0.83 AKR1C1 (0.37) THRBTDP1KMT2AMEN1SMN1; SMN2
SCHEMBL28755670 0.80 HDAC4 (0.39) THRBTDP1HDAC4HDAC2HDAC6
SCHEMBL4451679 0.77 HDAC4 (0.41) KMT2AHDAC4AKR1C1
Benzene SCHEMBL28354853 0.77 HDAC4 (0.41) KMT2AHDAC4AKR1C1
SCHEMBL6421730 0.76 SLC6A2 (0.40) THRBTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL29515981 0.75 THRB (0.39) THRBTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL14471899 0.75 HDAC4 (0.41) HDAC4HDAC2HDAC6HPGD
SCHEMBL9394306 0.75 TSHR (0.38) TSHRKMT2AMEN1HDAC4ALDH1A1
SCHEMBL17727866 0.73 ALDH1A1 (0.34) THRBTDP1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
CN-101189221-B Ampa receptor potentiators LILLY CO ELI 2011-06-01 CN disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
CN-101189221-A AMPA receptor potentiators LILLY CO ELI (US) 2008-05-28 CN disclosed
EP-1742916-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-17 EP disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2005108369-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-11-17 WO disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 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 (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-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 THRB 391/4885TDP1 3383/4885SLC6A2 2676/4885
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R THRB 712/4885TDP1 3781/4885SLC6A2 3547/4885

“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.