SCHEMBL13299315

SCHEMBL13299315

C[N+](C)(C)CCOP(=O)(O)OCC(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ FABP3 P05413 1/20 0.48
▸ LMNA P02545 3/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CDC25A P30304 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ PRKCE Q02156 1/20 0.35

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
SCHEMBL25857265 0.86 SMN1; SMN2 (0.46) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL5959370 0.85 FABP3 (0.48) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL13212932 0.84 SMN1; SMN2 (0.53) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL10013706 0.84 SMN1; SMN2 (0.53) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL27168721 0.84 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL157824 0.84 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL101267 0.84 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL5019714 0.84 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL28015556 0.84 SMN1; SMN2 (0.53) SMN1; SMN2FABP3LMNAAKT1ADRA1A
SCHEMBL14031370 0.84 SMN1; SMN2 (0.53) SMN1; SMN2FABP3LMNAAKT1ADRA1A

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-8551332-B2 Affinity particle and affinity separation method SHISEIDO COMPANY, LTD. (JP) 2013-10-08 — — US disclosed
US-8551332-B2 Affinity particle and affinity separation method SHISEIDO COMPANY, LTD. (JP) 2013-10-08 — — US disclosed
US-20100137133-A1 Affinity Particle And Affinity Separation Method SHISEIDO COMPANY, LTD. (JP) 2010-06-03 — — US disclosed
US-20090321357-A1 Affinity Particle And Affinity Separation Method SHISEIDO COMPANY, LTD. (JP) 2009-12-31 — — US disclosed
US-20090321358-A1 Affinity Particle And Method Of Affinity Separation SHISEIDO COMPANY, LTD. (JP) 2009-12-31 — — US disclosed
US-20070181503-A1 Affinity particle and affinity separation method SHISEIDO COMPANY, LTD. (JP) 2007-08-09 — — 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-20090321357-A1 Affinity Particle And Affinity Separation Method FCGR1A, ACP1, FCGR3B SMN1; SMN2 4013/4885FABP3 312/4885LMNA 3292/4885

“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.

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