SCHEMBL10188795

SCHEMBL10188795

COC1(c2ccccc2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
OPRM1 P35372 1/20 0.38
SMYD2 Q9NRG4 3/20 0.37
HTR2A P28223 4/20 0.31
HTR2C P28335 4/20 0.31
HTR2B P41595 4/20 0.31
TOP2A P11388 1/20 0.31
MAOB P27338 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
SCHEMBL2117858 0.78 OPRK1 (0.43) CYP3A4HTTSMN1; SMN2SLC6A2SMYD2
SCHEMBL9951170 0.78 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL9950738 0.78 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL2117864 0.78 OPRK1 (0.43) CYP3A4HTTSMN1; SMN2SLC6A2SMYD2
SCHEMBL9950322 0.78 OPRK1 (0.43) CYP3A4HTTSMN1; SMN2SLC6A2SMYD2
SCHEMBL2117758 0.77 CYP3A4 (0.40) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL10188799 0.77 SLC6A2 (0.41) CYP3A4HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL9950850 0.77 CYP3A4 (0.40) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL23670835 0.77 SMYD2 (0.39) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9950045 0.77 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2HTR2A

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-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 CYP3A4 2390/4885HTT 1672/4885SMN1; SMN2 592/4885

“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.