SCHEMBL4186490

SCHEMBL4186490

NCCCc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
GABRA1 P14867 7/20 0.57
GABRB2 P47870 7/20 0.57
HTT P42858 1/20 0.51
POLB P06746 1/20 0.48
GABRB1 P18505 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL9426432 0.87 GABRA1 (0.69) KDM4EGABRA1GABRB2HTT
SCHEMBL17337999 0.86 GABRA1 (0.68) KDM4EGABRA1GABRB2HTT
SCHEMBL17337966 0.85 GABRA1 (0.67) KDM4EGABRA1GABRB2HTT
SCHEMBL17337963 0.84 KDM4E (0.56) KDM4EGABRA1GABRB2HTTGABRB1
SCHEMBL3812183 0.82 HTT (0.52) KDM4EGABRA1GABRB2HTT
SCHEMBL396402 0.81 GABRA1 (0.73) KDM4EGABRA1GABRB2HTTPOLB
SCHEMBL3812486 0.80 GABRA1 (0.53) KDM4EGABRA1GABRB2HTT
SCHEMBL13718281 0.79 GABRA1 (0.52) KDM4EGABRA1GABRB2HTT
SCHEMBL4451135 0.78 GABRA1 (0.75) KDM4EGABRA1GABRB2HTTGABRB1
SCHEMBL4650044 0.78 GABRA1 (0.70) KDM4EGABRA1GABRB2HTTGABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885GABRA1 3341/4885GABRB2 4256/4885

“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.