SCHEMBL6023404

SCHEMBL6023404

CCOC(CCc1ccccc1)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
ATM Q13315 1/20 0.39
AOC3 Q16853 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL6024591 0.88 CHRM2 (0.44) HPGDAOC3CHRM2HTR1AADRA2A
SCHEMBL4155150 0.80 TDP1 (0.40) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL28202908 0.80 TDP1 (0.40) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL114790 0.79 TP53 (0.37) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL6303238 0.78 SLC6A2 (0.46) TP53ALDH1A1TAAR1SLC6A2SMN1; SMN2
SCHEMBL6554382 0.78 ALDH1A1 (0.42) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL11054827 0.78 ALDH1A1 (0.39) ALDH1A1TAAR1TDP1SMN1; SMN2
SCHEMBL11006769 0.77 CALM1 (0.38) TP53ALDH1A1HSD17B10CHRM2ADRA2A
SCHEMBL28668278 0.76 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2
SCHEMBL38652393 0.74 MEN1 (0.40) ALDH1A1SMN1; SMN2SIGMAR1

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-20060106037-A1 Purin-6-one-derivatives ALTANA PHARMA AG (DE) 2006-05-18 US disclosed
EP-1601675-A1 PURIN-6-ONE-DERIVATIVES ALTANA Pharma AG (DE) 2005-12-07 EP disclosed
WO-2004089953-A1 PURIN-6-ONE-DERIVATIVES ALTANA PHARMA AG (DE) 2004-10-21 WO 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-20060106037-A1 Purin-6-one-derivatives PDE4B, PDE4A, PDE2A TP53 4391/4885ALDH1A1 1366/4885HPGD 892/4885

“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.