SCHEMBL818208

SCHEMBL818208

CC(C)(C)CC(C)(C)c1ccc(OC2CCCCO2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.38
CYP3A4 P08684 5/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 2/20 0.37
PTPN1 P18031 4/20 0.37
PDE4B Q07343 2/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 2/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL725973 0.85 PDE4B (0.34) SHBGCYP3A4PTPN1PDE4BHSD17B10
SCHEMBL20370250 0.85 DHFR (0.35) SHBGCYP3A4PTPN1PDE4BHSD17B10
SCHEMBL10535388 0.82 LMNA (0.40) SHBGCYP3A4HIF1ACYP2D6HSD17B10
SCHEMBL18592577 0.79 CYP3A4 (0.43) SHBGCYP3A4HIF1AALDH1A1SMN1; SMN2
SCHEMBL20348684 0.79 PDE4B (0.33) PTPN1PDE4BPDE4A
SCHEMBL21917139 0.79 PDE4B (0.33) CYP2D6PTPN1PDE4BALDH1A1SMN1; SMN2
SCHEMBL20445892 0.79 PDE4B (0.31) PTPN1PDE4B
SCHEMBL724998 0.77 PDE4B (0.32) PDE4BALDH1A1SMN1; SMN2
SCHEMBL15847746 0.77 PDE4B (0.32) PDE4BALDH1A1SMN1; SMN2PDE4A
SCHEMBL723761 0.76 ALDH1A1 (0.34) PDE4BALDH1A1MEN1MAPTKMT2A

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-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC 2011-11-17 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-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR WEE2, NOTUM, WEE1 SHBG 3920/4885CYP3A4 553/4885HIF1A 1106/4885

“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.