SCHEMBL4354739

SCHEMBL4354739

COC(Cc1ccnc(OC(C)C)c1)OC(Cc1ccnc(OC(C)C)c1)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.43
LOXL2 Q9Y4K0 3/20 0.42
LOX P28300 2/20 0.42
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL1416713 0.81 ACACB (0.44) ACACBLOXL2LOXMAPK13MAPK12
SCHEMBL16453525 0.78 NOS3 (0.48) ACACBLOXL2LOXMAPK13MAPK12
SCHEMBL25300735 0.77 LOXL2 (0.66) ACACBLOXL2LOX
SCHEMBL4018741 0.77 RECQL (0.47) ACACBLOXL2LOXMAPK13MAPK12
SCHEMBL2891302 0.74 ACACB (0.41) ACACBLOXL2LOXMAPK13MAPK12
SCHEMBL4019820 0.74 LOXL2 (0.41) ACACBLOXL2LOXACVR2ATGFBR2
SCHEMBL12093674 0.71 LOXL2 (0.62) ACACBLOXL2LOXGABRA1GABRB2
SCHEMBL17000198 0.71 LOXL2 (0.41) ACACBLOXL2LOXHCRTR1HCRTR2
SCHEMBL21214848 0.70 GABRA1 (0.42) ACACBLOXL2LOXGABRPGABRD
SCHEMBL13791786 0.69 CCR1 (0.53) ACACBLOXL2LOXACVR2ATGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 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-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent FLT1, FLT4, PYM1 ACACB 2238/4885LOXL2 1551/4885LOX 985/4885

“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.