SCHEMBL462801

SCHEMBL462801

CCC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD11B1 P28845 1/20 0.44
OPRM1 P35372 3/20 0.44
GRIN2D O15399 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
DRD3 P35462 2/20 0.44
CACNA1F O60840 1/20 0.44
ABCB1 P08183 1/20 0.44
CYP2B6 P20813 1/20 0.44
DRD4 P21917 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1D Q01668 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL873147 0.82 CYP2C19 (0.52) CYP2C19HIF1AHSD11B1OPRM1GRIN2D
SCHEMBL6551240 0.78 MIF (0.50) CYP2C19HIF1AOPRM1GRIN2DGRIN1
SCHEMBL14980287 0.78 CYP2C19 (0.52) CYP2C19HIF1AMIFKIF11MAPT
SCHEMBL503257 0.78 MIF (0.65) CYP2C19HIF1AMIFKIF11MAPT
SCHEMBL10440059 0.77 CYP2C19 (0.43) CYP2C19HIF1AHSD11B1OPRM1GRIN2D
Tert-Butylbenzene SCHEMBL27405309 0.77 CYP2C19 (0.50) CYP2C19HIF1AHSD11B1OPRM1DRD3
SCHEMBL28856031 0.76 CES1 (0.46) CYP2C19HIF1AHSD11B1OPRM1GRIN2D
SCHEMBL20546665 0.76 MIF (0.63) CYP2C19HIF1AMIFKIF11MAPT
SCHEMBL408794 0.75 CYP2C19 (0.53) CYP2C19HIF1AHSD11B1OPRM1GRIN2D
Trifluoromethylbenzene SCHEMBL28280631 0.75 ALDH1A1 (0.58) CYP2C19HIF1AHSD11B1OPRM1DRD3

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-20180092938-A1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-04-05 US disclosed
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES AVI BIOPHARMA, INC. (US) 2012-11-15 US disclosed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 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 (3 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-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB CYP2C19 4781/4885HIF1A 3500/4885HSD11B1 3752/4885
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SNRPE, SMN1; SMN2, UPF1 CYP2C19 4666/4885HIF1A 3044/4885HSD11B1 3847/4885
US-20180092938-A1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA LMNB2, LMNA, LMNB1 CYP2C19 4841/4885HIF1A 3541/4885HSD11B1 2876/4885

“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.