SCHEMBL5656512

SCHEMBL5656512

CC(C)(C)[Si](C)(C)OCCn1ccnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
PDE6D O43924 4/20 0.44
DUT P33316 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
PLAA Q9Y263 1/20 0.38
BRD4 O60885 1/20 0.38
ALPG P10696 1/20 0.38
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 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
SCHEMBL2796845 0.80 ALDH1A1 (0.49) DUTTSHRCA12CA1CA2
SCHEMBL13587978 0.77 ESR1 (0.56) ESR1PDE6DCYP3A4CYP2C19CYP2C9
SCHEMBL11925813 0.76 DUT (0.42) DUT
SCHEMBL31627416 0.75 DUT (0.36) DUT
SCHEMBL9444420 0.75 ESR1 (0.64) ESR1PDE6DCYP3A4CYP2C19CYP2C9
SCHEMBL16212158 0.74 ESR1 (0.56) ESR1PDE6DCYP3A4CYP2C19CYP2C9
SCHEMBL7095574 0.74 ESR1 (0.68) ESR1PDE6DCYP3A4CYP2C19CYP2C9
SCHEMBL13587983 0.74 ESR1 (0.63) ESR1PDE6DCYP3A4CYP2C19CYP2C9
SCHEMBL5657683 0.74 ESR1 (0.56) ESR1PDE6DCYP3A4CYP2C19CYP2C9
SCHEMBL25397645 0.73 DUT (0.40) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 ESR1 300/4885PDE6D 1061/4885DUT 4297/4885

“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.