SCHEMBL17685015

SCHEMBL17685015

CC(C)(C)[Si](C)(C)OC1CCC(=Cc2cccc(Cl)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
XDH P47989 2/20 0.38
EGFR P00533 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
FAAH O00519 3/20 0.33
GAA P10253 1/20 0.33
RELA Q04206 1/20 0.33
CHRM5 P08912 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.32
CHAT P28329 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 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
SCHEMBL17684271 0.86 HSD11B1 (0.40) XDHEGFRPIM1PIM2FAAH
SCHEMBL6399661 0.79 HPGD (0.35) CYP1A2NPC1RAB9AALDH1A1LMNA
SCHEMBL17684607 0.76 CYP1A2 (0.42) CYP1A2XDHEGFRPIM1PIM2
SCHEMBL17685014 0.76 CYP1A2 (0.37) CYP1A2XDHEGFRPIM1PIM2
SCHEMBL13504044 0.75 CYP1A2 (0.49) CYP1A2XDHEGFRPIM1PIM2
SCHEMBL17632847 0.74 AKR1C1 (0.37) FAAH
SCHEMBL17684217 0.72 CYP1A2 (0.49) CYP1A2XDHEGFRPIM1PIM2
SCHEMBL13504055 0.72 CYP1A2 (0.45) CYP1A2XDHEGFRPIM1PIM2
SCHEMBL632207 0.71 PIM1 (0.43) CYP1A2PIM1PIM2RELAMEN1
SCHEMBL633015 0.71 PIM1 (0.43) CYP1A2PIM1PIM2RELAMEN1

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-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-05-12 US disclosed
EP-3009421-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2016-04-20 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-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR SLC1A2, SLC6A5, SLC18A2 CYP1A2 1405/4885XDH 1451/4885EGFR 2676/4885

“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.