SCHEMBL3225341

SCHEMBL3225341

O=P(O)(O)C(O)(CCN1CCCC1)P(=O)(O)O.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
FDPS P14324 15/20 0.43
PDE3A Q14432 2/20 0.43
LMNA P02545 2/20 0.43
ADRB3 P13945 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 1/20 0.42
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
GGPS1 O95749 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL136428 0.98 CA12 (0.47) CA12CA1CA2CA9FDPS
SCHEMBL9298865 0.96 CA12 (0.49) CA12CA1CA2CA9FDPS
SCHEMBL6222263 0.96 CA12 (0.49) CA12CA1CA2CA9FDPS
SCHEMBL9615006 0.94 FDPS (0.45) CA12CA1CA2CA9FDPS
SCHEMBL18161694 0.86 FDPS (0.40) CA12CA1CA2CA9FDPS
SCHEMBL18161709 0.86 FDPS (0.40) CA12CA1CA2CA9FDPS
SCHEMBL3067217 0.85 CA12 (0.41) CA12CA1CA2CA9FDPS
SCHEMBL9082973 0.85 FDPS (0.47) CA12CA1CA2CA9FDPS
SCHEMBL18161706 0.83 FDPS (0.44) CA12CA1CA2CA9FDPS
SCHEMBL18161689 0.83 FDPS (0.44) CA12CA1CA2CA9FDPS

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
WO-2011163389-A2 METHOD FOR INDUCING FAT LOSS IN MAMMALS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-12-29 WO claimed
US-7820197-B2 Percutaneous preparations ASTELLAS PHARMA INC. (JP) 2010-10-26 US disclosed
US-20100055159-A1 PERCUTANEOUS PREPARATIONS TSUJI YASUHIRO 2010-03-04 US disclosed
US-20050106186-A1 Percutaneous preparations KYUKYU PHARMACEUTICAL CO., LTD. (JP) 2005-05-19 US disclosed
EP-1475095-A1 PERCUTANEOUS PREPARATIONS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-11-10 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 (2 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-20100055159-A1 PERCUTANEOUS PREPARATIONS FFAR1, FFAR2, PPARD CA12 2137/4885CA1 3883/4885CA2 3211/4885
US-20050106186-A1 Percutaneous preparations FFAR1, FFAR2, PPARD CA12 2137/4885CA1 3883/4885CA2 3211/4885

“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.