SCHEMBL2837142

SCHEMBL2837142

COc1ccc(C(OCCC[C](C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.46
SLC6A1 P30531 2/20 0.46
KIF11 P52732 6/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41

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
SCHEMBL6834879 0.87 PDE4B (0.54) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL334143 0.85 SLC6A11 (0.48) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL6891571 0.85 KIF11 (0.48) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL16197752 0.84 KIF11 (0.50) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL8860350 0.84 SLC6A11 (0.47) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL6838786 0.83 PDE4B (0.47) SLC6A11SLC6A1KIF11MEN1TP53
SCHEMBL28577719 0.83 PDE4B (0.52) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL13551201 0.82 GAA (0.48) SLC6A11SLC6A1MEN1CYP1A2CYP3A4
SCHEMBL6849984 0.82 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL27051202 0.82 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1

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
WO-2010114762-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES BERRY AND ASSOCIATES, INC. (US) 2010-10-07 WO disclosed
US-20100249393-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES BERRY AND ASSOCIATES, INC. (US) 2010-09-30 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-20100249393-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES RNGTT, OGA, HCCS SLC6A11 4801/4885SLC6A1 4809/4885KIF11 4403/4885

“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.