SCHEMBL4924977

SCHEMBL4924977

COc1ccc(Cl)cc1C1=C(B(O)O)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 5/20 0.44
ERN1 O75460 1/20 0.42
SLC9A1 P19634 1/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TTR P02766 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL4151708 0.97 ERN1 (0.42) ALDH1A1HPGDERN1SLC9A1KDM4E
SCHEMBL4925866 0.78 PTGER1 (0.58)
SCHEMBL4158464 0.78 SMN1; SMN2 (0.43) ALDH1A1HPGDERN1KDM4EMEN1
SCHEMBL4159004 0.77 PTGER1 (0.39) NPSR1MAPTRAB9A
SCHEMBL5619573 0.76 PTGER1 (0.56)
SCHEMBL5620731 0.76 PTGER1 (0.61)
SCHEMBL17254341 0.74 ERN1 (0.48) ALDH1A1HPGDERN1SLC9A1KDM4E
SCHEMBL7699644 0.72 ALDH1A1 (0.56) ALDH1A1HPGDERN1KDM4ELMNA
SCHEMBL4914496 0.69 ALDH1A1 (0.40) ALDH1A1HPGDERN1SLC9A1KDM4E
SCHEMBL322537 0.69 ENPP2 (0.52) ALDH1A1HPGDERN1KDM4ELMNA

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-20080234335-A1 Cyclohexene Compounds GLAXO GROUP LIMITED (GB) 2008-09-25 US disclosed
EP-1670764-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037794-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080234335-A1 Cyclohexene Compounds C1R, CYP1B1, CYP2C9 ALDH1A1 2527/4885HPGD 2218/4885ERN1 1534/4885

“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.