SCHEMBL3090232

SCHEMBL3090232

C(=N/OCCOC1CO1)\c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.36
PLA2G7 Q13093 1/20 0.35
UNG P13051 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 5/20 0.34
PPARA Q07869 5/20 0.34
SRC P12931 2/20 0.33
NAMPT P43490 1/20 0.33
CCNO P22674 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
SCHEMBL3090233 1.00 TAAR1 (0.40) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL3083557 0.83 KDM4C (0.44) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL3083554 0.83 KDM4C (0.44) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL11267310 0.76 TDP1 (0.49) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL10439265 0.76 TDP1 (0.49) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL3086026 0.73 LMNA (0.46) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL3086028 0.73 LMNA (0.46) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL3077492 0.72 TAAR1 (0.36) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL3077488 0.72 TAAR1 (0.36) TAAR1NPC1GAARAB9ASMN1; SMN2
SCHEMBL8306343 0.71 TAAR1 (0.47) TAAR1NPC1GAARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 US claimed
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP claimed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 WO claimed
US-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 US disclosed
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 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-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES HPD, TRHDE, BPHL TAAR1 84/4885NPC1 3753/4885GAA 3816/4885

“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.