SCHEMBL12380305

SCHEMBL12380305

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.73
▸ PRKD3 O94806 2/20 0.73
▸ PRKCG P05129 2/20 0.73
▸ PRKCB P05771 2/20 0.73
▸ PRKCA P17252 2/20 0.73
▸ PRKCH P24723 2/20 0.73
▸ PRKCI P41743 2/20 0.73
▸ PRKCE Q02156 2/20 0.73
▸ PRKCQ Q04759 2/20 0.73
▸ PRKCZ Q05513 2/20 0.73
▸ PRKCD Q05655 2/20 0.73
▸ PRKD1 Q15139 2/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ GMNN O75496 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ KMT2A Q03164 1/20 0.73

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
SCHEMBL14447847 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL27603790 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL29464127 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL8257173 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL8251942 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL23016734 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL4177817 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL1962471 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL28728461 0.94 AKT1 (0.65) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL28728460 0.94 AKT1 (0.65) AKT1PRKD3PRKCGPRKCBPRKCA

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 — — WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 — — US disclosed
US-7998945-B2 Methods for the treatment and amelioration of atopic dermatitis JADO TECHNOLOGIES GMBH (DE) 2011-08-16 — — US disclosed
US-7998945-B2 Methods for the treatment and amelioration of atopic dermatitis JADO TECHNOLOGIES GMBH (DE) 2011-08-16 — — US disclosed
US-20090018105-A1 Means and Methods for the Treatment and Prevention of Allergic Diseases JADO TECHNOLOGIES GMBH 2009-01-15 — — US disclosed
US-20090018105-A1 Means and Methods for the Treatment and Prevention of Allergic Diseases JADO TECHNOLOGIES GMBH 2009-01-15 — — 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 (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-20090018105-A1 Means and Methods for the Treatment and Prevention of Allergic Diseases PHOSPHO1, CPA3, SMPD3 AKT1 1146/4885PRKD3 283/4885PRKCG 355/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 AKT1 2455/4885PRKD3 1335/4885PRKCG 596/4885

“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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