SCHEMBL17833684

SCHEMBL17833684

O=C(O)CCCCCCc1csc(CCCc2ccccc2)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.89
MAPT P10636 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
HDAC3 O15379 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
HDAC4 P56524 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
KDM4A O75164 1/20 0.49
KDM5A P29375 1/20 0.49

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
SCHEMBL13696741 0.89 LTB4R (0.71) LTB4RMAPTRXFP1HDAC1HDAC2
SCHEMBL17833685 0.89 LTB4R (0.80) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL10596772 0.82 RXFP1 (0.74) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL10596541 0.82 RXFP1 (0.74) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL10597869 0.82 RXFP1 (0.74) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL10600049 0.82 RXFP1 (0.74) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL10599019 0.82 RXFP1 (0.74) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL10597273 0.82 RXFP1 (0.74) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL2553009 0.81 MAPT (1.00) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL770290 0.81 MAPT (1.00) LTB4RMAPTRXFP1HDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 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 (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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 LTB4R 8/4885MAPT 2546/4885RXFP1 2472/4885

“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.