SCHEMBL1786883

SCHEMBL1786883

CC1(C)C2CCC(CC(=O)O)C1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.51
MAPK14 Q16539 1/20 0.51
CAMK1D Q8IU85 1/20 0.51
HDAC6 Q9UBN7 3/20 0.46
S1PR1 P21453 1/20 0.41
EPHX2 P34913 1/20 0.41
SLC6A12 P48065 3/20 0.41
SLC6A11 P48066 3/20 0.41
SLC6A13 Q9NSD5 3/20 0.41
TBXA2R P21731 2/20 0.37
OGFRL1 Q5TC84 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CDC25A P30304 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CXCR3 P49682 1/20 0.35
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL3708800 1.00 RET (0.51) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL1788712 1.00 RET (0.51) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL3708801 1.00 RET (0.51) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL1788714 1.00 RET (0.51) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL3701769 0.85 RET (0.51) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL3701767 0.85 RET (0.51) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL11603418 0.85 RET (0.41) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL11604288 0.82 RET (0.49) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL59970 0.80 RET (0.47) RETMAPK14CAMK1DHDAC6S1PR1
SCHEMBL61209 0.80 RET (0.47) RETMAPK14CAMK1DHDAC6S1PR1

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-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 RET 3302/4885MAPK14 3195/4885CAMK1D 663/4885

“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.