SCHEMBL4926085

SCHEMBL4926085

CCOC(=O)c1cccc(C2=C(OS(=O)(=O)C(F)(F)F)CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
MAPT P10636 6/20 0.43
ADORA1 P30542 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP8 Q14790 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL4924730 0.77 CYP1A2 (0.59) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4165889 0.74 CYP1A2 (0.57) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1743472 0.73 ADORA1 (0.38) MAPTADORA1ALDH1A1MEN1KMT2A
SCHEMBL4924175 0.73 CYP1A2 (0.44) CYP1A2MAPTMEN1KMT2AHSP90AA1
SCHEMBL8202859 0.72 ADORA1 (0.37) MAPTADORA1SMN1; SMN2CASP3ALDH1A1
SCHEMBL17318442 0.72 ADORA1 (0.37) MAPTADORA1SMN1; SMN2CASP3ALDH1A1
SCHEMBL12592486 0.72 ADORA1 (0.37) MAPTADORA1SMN1; SMN2CASP3ALDH1A1
SCHEMBL1957632 0.71 ADORA1 (0.38) MAPTADORA1NPC1SMN1; SMN2ALDH1A1
SCHEMBL18584530 0.70 ACHE (0.43)
SCHEMBL4916416 0.69 PTGER1 (0.59)

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 CYP1A2 51/4885MAPT 4485/4885ADORA1 176/4885

“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.