SCHEMBL9950439

SCHEMBL9950439

COc1ccc(S(=O)(=O)CC2(c3ccccc3)CC2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.38
HCRTR1 O43613 8/20 0.38
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10241180 0.82 HCRTR2 (0.37) HCRTR2HCRTR1NPSR1CA12CA9
SCHEMBL9950175 0.81 HCRTR2 (0.59) HCRTR2HCRTR1CYP2C8CYP2C19
SCHEMBL9951521 0.80 HCRTR2 (0.40) HCRTR2HCRTR1POLBHTT
SCHEMBL9950268 0.80 HCRTR2 (0.40) HCRTR2HCRTR1CYP2C8CYP2C19CYP3A4
SCHEMBL9950639 0.80 HCRTR2 (0.44) HCRTR2HCRTR1NPSR1CA12CA9
SCHEMBL9950858 0.76 CA12 (0.41) HCRTR2HCRTR1NPSR1CA12CA9
SCHEMBL9950738 0.74 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2
SCHEMBL9951170 0.74 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2
SCHEMBL9950322 0.74 OPRK1 (0.43) CYP3A4HTTSMN1; SMN2
SCHEMBL2117864 0.74 OPRK1 (0.43) CYP3A4HTTSMN1; SMN2

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-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 HCRTR2 1/4885HCRTR1 2/4885NPSR1 18/4885

“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.