SCHEMBL4924644

SCHEMBL4924644

CCOC(=O)c1ncccc1C1=C(C2C=CC=CC2(Cl)OC)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
TDP2 O95551 4/20 0.35
ACHE P22303 3/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA1 P14867 2/20 0.33
GABRA3 P34903 2/20 0.33
CSF1R P07333 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA2 P47869 1/20 0.32
HRH1 P35367 1/20 0.32
CDC7 O00311 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL4924653 0.71 BRD4 (0.42) BRD4TDP2GABRA5GABRA1CSF1R
SCHEMBL4926630 0.70 CSF1R (0.43) BRD4GABRG2GABRB3GABRA5GABRA1
SCHEMBL4924658 0.69 CSF1R (0.42) BRD4GABRG2GABRB3GABRA5GABRA1
SCHEMBL4922991 0.69 GABRG2 (0.43) BRD4TDP2GABRG2GABRB3GABRA5
SCHEMBL25780703 0.65 BRD4 (0.58) BRD4TDP2GABRG2GABRB3GABRA5
SCHEMBL1495328 0.64 BRD4 (0.60) BRD4TDP2HSD17B10
SCHEMBL25780927 0.63 BRD4 (0.56) BRD4TDP2KDM4EHSD17B10GABRA2
SCHEMBL28472394 0.63 BRD4 (0.61) BRD4TDP2KDM4ECASP1HSD17B10
SCHEMBL29479606 0.62 BRD4 (0.51) BRD4TDP2GABRG2GABRB3GABRA5
SCHEMBL17517033 0.61 BRD4 (0.41) BRD4TDP2GABRG2GABRB3GABRA5

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-20080234335-A1 Cyclohexene Compounds GLAXO GROUP LIMITED (GB) 2008-09-25 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-20080234335-A1 Cyclohexene Compounds C1R, CYP1B1, CYP2C9 BRD4 1260/4885TDP2 3900/4885ACHE 1670/4885

“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.