SCHEMBL17684353

SCHEMBL17684353

Fc1ccccc1C=C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.50
IKBKB O14920 2/20 0.47
RAF1 P04049 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
KDR P35968 1/20 0.47
PRKAG1 P54619 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PRKAA1 Q13131 1/20 0.47
MAPK14 Q16539 1/20 0.47
DYRK2 Q92630 1/20 0.47
NEK1 Q96PY6 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
IGF1R P08069 1/20 0.43
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL12751291 0.82 IKBKB (0.51) NFE2L2IKBKBRAF1RPS6KB1MAPK1
SCHEMBL13504087 0.82 IKBKB (0.51) NFE2L2IKBKBRAF1RPS6KB1MAPK1
SCHEMBL17684676 0.80 IKBKB (0.45) NFE2L2IKBKBRAF1RPS6KB1MAPK1
Hydrochloric Acid SCHEMBL6979971 0.80 IKBKB (0.50) NFE2L2IKBKBRAF1RPS6KB1MAPK1
SCHEMBL13504005 0.79 MAPT (0.45) NFE2L2IKBKBRAF1RPS6KB1MAPK1
SCHEMBL23842730 0.77 IKBKB (0.65) NFE2L2IKBKBRAF1RPS6KB1MAPK1
Hydrochloric Acid SCHEMBL23830744 0.75 IKBKB (0.62) NFE2L2IKBKBRAF1RPS6KB1MAPK1
SCHEMBL13503573 0.75 MAPT (0.46) NFE2L2IKBKBRAF1RPS6KB1MAPK1
SCHEMBL13504103 0.75 IGF1R (0.42) NFE2L2IKBKBRAF1RPS6KB1MAPK1
SCHEMBL3438486 0.75 IKBKB (0.57) NFE2L2IKBKBRAF1RPS6KB1MAPK1

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 NFE2L2 1980/4885IKBKB 2164/4885RAF1 4484/4885

“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.