SCHEMBL18176799

SCHEMBL18176799

CC[C@H]1OC(C)(C)O[C@@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HCRTR2 O43614 3/20 0.35
HCRTR1 O43613 2/20 0.35
TBXA2R P21731 1/20 0.35
KDM1A O60341 10/20 0.34
MAOA P21397 10/20 0.34
MAOB P27338 10/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17827377 1.00 CYP3A4 (0.39) CYP3A4MAPK1ALDH1A1KDM4EGLA
SCHEMBL18176800 1.00 CYP3A4 (0.39) CYP3A4MAPK1ALDH1A1KDM4EGLA
SCHEMBL18801954 0.83 CYP3A4 (0.42) CYP3A4MAPK1ALDH1A1HCRTR2HCRTR1
SCHEMBL5326362 0.83 CYP3A4 (0.38) CYP3A4MAPK1ALDH1A1HCRTR2HCRTR1
SCHEMBL20537397 0.83 CYP3A4 (0.38) CYP3A4MAPK1ALDH1A1KDM4EGLA
SCHEMBL5331015 0.83 CYP3A4 (0.42) CYP3A4MAPK1ALDH1A1HCRTR2HCRTR1
SCHEMBL16808485 0.83 CYP3A4 (0.42) CYP3A4MAPK1ALDH1A1HCRTR2HCRTR1
SCHEMBL5325290 0.83 CYP3A4 (0.38) CYP3A4MAPK1ALDH1A1HCRTR2HCRTR1
SCHEMBL14626066 0.83 CYP3A4 (0.42) CYP3A4MAPK1ALDH1A1HCRTR2HCRTR1
SCHEMBL13958487 0.81 CYP3A4 (0.48) CYP3A4MAPK1HCRTR2HCRTR1KDM1A

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-9937145-B2 Sulfamate derivative compound for use in preventing or treating epilepsy BIO-PHARM SOLUTIONS CO., LTD. (KR) 2018-04-10 US disclosed
US-20160310461-A1 Sulfamate Derivative Compound for Use in Preventing or Treating Epilepsy BIO-PHARM SOLUTIONS CO., LTD. (KR) 2016-10-27 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-20160310461-A1 Sulfamate Derivative Compound for Use in Preventing or Treating Epilepsy STS, SULT2A1, GRIK5 CYP3A4 677/4885MAPK1 3065/4885ALDH1A1 649/4885

“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.