SCHEMBL5199025

SCHEMBL5199025

O=C(O)CCCc1cnc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
ADRA1A P35348 1/20 0.54
SLC6A3 Q01959 1/20 0.54
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MGAM O43451 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL5197022 0.95 CYP1A2 (0.55) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7821089 0.94 MAPT (0.57) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7832253 0.94 MAPT (0.57) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2846347 0.91 MGAM (0.54) CYP1A2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL3867467 0.89 MGAM (0.53) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL17288844 0.87 TRPV1 (0.48) CYP1A2HDAC3HDAC4HDAC1HDAC7
Trifluoroacetic Acid SCHEMBL2850398 0.84 RHOA (0.48) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20224973 0.83 L3MBTL1 (0.53) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6614214 0.82 PDGFRB (0.50) CYP1A2SMN1; SMN2MGAMCFTRRAB9A
SCHEMBL11597016 0.82 CYP1A2 (0.50) CYP1A2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262172-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-08-28 US disclosed
EP-1328535-B1 MACROLIDES GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20040254124-A1 Macrolides PLIVA D.D. (HR) 2004-12-16 US disclosed
EP-1328535-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2003-07-23 EP disclosed
WO-2002032917-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2002-04-25 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-20040254124-A1 Macrolides OGFOD1, TLR7, MALT1 CYP1A2 780/4885HDAC3 51/4885HDAC4 136/4885

“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.