SCHEMBL1433609

SCHEMBL1433609

CC1C(OC(=O)c2ccc(C(C)(C)C)cc2)CCN(C)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
BCHE P06276 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MITF O75030 1/20 0.36

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
SCHEMBL10338115 0.85 MEN1 (0.51) SCN1ASCN2ASCN3AMEN1KMT2A
Water SCHEMBL28999761 0.84 MEN1 (0.50) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL11339663 0.78 ATM (0.35) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL11537447 0.77 GRIN2B (0.35) HPGDALOX15MEN1KMT2ASMN1; SMN2
Tempol Hydroxylamine SCHEMBL29161454 0.75 KMT2A (0.42) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL28886947 0.74 CYP2D6 (0.30)
SCHEMBL28886937 0.74 CYP2D6 (0.30)
SCHEMBL17886779 0.72 SCN1A (0.71) SCN1ASCN2ASCN3AHPGDALOX15
SCHEMBL28886953 0.72 OPRD1 (0.32) SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL11320172 0.72 KMT2A (0.40) SCN1ASCN2ASCN3AHPGDALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178026-B1 PROCESSES FOR PRODUCING OXIDE WITH HIGHER OXIDATION THAN ALCOHOL OTSUKA KAGAKU KK (JP) 2011-03-30 EP disclosed
US-7183421-B2 Processes for producing oxide with higher oxidation than alcohol OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2007-02-27 US disclosed
US-20050014957-A1 Processes for producing oxide with higher oxidation than alcohol TANAKA HIDEO (JP) 2005-01-20 US disclosed
US-6797830-B2 SILICA GEL CARRIES AN ALCOHOL AND AN OXIDATIVE CATALYST AND OXIDIZING THE ALCOHOL IN THE PRESENCE OF AN OXIDIZER OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
EP-1178026-A1 PROCESSES FOR PRODUCING OXIDE WITH HIGHER OXIDATION THAN ALCOHOL OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-02-06 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-20050014957-A1 Processes for producing oxide with higher oxidation than alcohol ADH1A, NOX4, AOX1 SCN1A 3911/4885SCN2A 3966/4885SCN3A 3407/4885

“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.