SCHEMBL5657672

SCHEMBL5657672

O=C(O)CCCCc1ccc2c(c1)OCc1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.58
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ROCK2 O75116 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL10998677 0.84 AKR1B1 (0.58) AKR1B1MAPT
SCHEMBL11615502 0.83 AKR1B1 (0.57) AKR1B1MAPT
SCHEMBL11611821 0.83 AKR1B1 (0.57) AKR1B1MAPT
SCHEMBL31254018 0.82 AKR1B1 (0.82) AKR1B1ROCK2LTB4RLTB4R2
SCHEMBL10877066 0.81 GPR3 (0.49) AKR1B1
SCHEMBL11197534 0.81 AKR1B1 (0.60) AKR1B1MAPT
SCHEMBL27884806 0.80 KCNJ1 (0.57) AKR1B1MAPTRXFP1CYP1A2
SCHEMBL24440105 0.78 CYP1A2 (0.56) MAPTRXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL18165307 0.78 AKR1B1 (0.47) AKR1B1ROCK2LTB4RLTB4R2
SCHEMBL18165301 0.77 AKR1B1 (0.47) AKR1B1ROCK2LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160875-A1 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2006-07-20 US claimed
EP-1654213-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-10 EP claimed
WO-2004110974-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO claimed
US-7250439-B2 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2007-07-31 US disclosed
US-20060160875-A1 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2006-07-20 US disclosed
EP-1654213-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-10 EP disclosed
WO-2004110974-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 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-20060160875-A1 Matrix metalloproteinase inhibitors MMP9, MMP20, MMP10 AKR1B1 918/4885MAPT 4764/4885RXFP1 254/4885

“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.