SCHEMBL9950541

SCHEMBL9950541

CCOC(=O)/C=C/C1(c2ccccc2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
MDM4 O15151 1/20 0.35
LMNA P02545 1/20 0.35
MDM2 Q00987 1/20 0.35
BACE1 P56817 2/20 0.34
OPRM1 P35372 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL10188800 0.82 SMYD2 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2117758 0.81 CYP3A4 (0.40) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9950850 0.81 CYP3A4 (0.40) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9950042 0.81 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9950045 0.81 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9950542 0.80 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2OPRM1SMYD2
SCHEMBL9950679 0.75 CYP3A4 (0.31) CYP3A4HTTSMN1; SMN2
SCHEMBL9950677 0.75 CYP3A4 (0.31) CYP3A4HTTSMN1; SMN2
SCHEMBL10188799 0.74 SLC6A2 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL16166840 0.74 SMN1; SMN2 (0.39) CYP3A4HTTSMN1; SMN2OPRM1SMYD2

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 L3MBTL1 969/4885CYP3A4 2390/4885HTT 1672/4885

“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.