SCHEMBL12235485

SCHEMBL12235485

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ GMNN O75496 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ BLM P54132 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ PRKD3 O94806 2/20 0.59
▸ PRKCG P05129 2/20 0.59
▸ PRKCB P05771 2/20 0.59
▸ PRKCA P17252 2/20 0.59
▸ PRKCH P24723 2/20 0.59
▸ PRKCI P41743 2/20 0.59
▸ PRKCE Q02156 2/20 0.59
▸ PRKCQ Q04759 2/20 0.59
▸ PRKCZ Q05513 2/20 0.59
▸ PRKCD Q05655 2/20 0.59
▸ PRKD1 Q15139 2/20 0.59
▸ AKT1 P31749 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59

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
SCHEMBL29059526 1.00 MAPK1 (0.59) MAPK1MEN1GMNNLMNABLM
SCHEMBL31282060 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL22023008 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL28662051 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL19405591 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL14447803 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL20851913 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL22023007 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL28700503 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM
SCHEMBL30832622 0.94 LPAR1 (0.67) MAPK1MEN1GMNNLMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 — — CN claimed
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-8394785-B2 Methods for the treatment and amelioration of urticaria JADO TECHNOLOGIES GMBH (DE) 2013-03-12 — — US disclosed
US-20110263531-A1 METHODS FOR THE TREATMENT AND AMELIORATION OF ATOPIC DERMATITIS JADO TECHNOLOGIES GMBH 2011-10-27 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MAPK1 3672/4885MEN1 2215/4885GMNN 1905/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 MAPK1 2188/4885MEN1 4785/4885GMNN 3494/4885
US-20110263531-A1 METHODS FOR THE TREATMENT AND AMELIORATION OF ATOPIC DERMATITIS PHOSPHO1, SMPD3, SMPD1 MAPK1 3110/4885MEN1 3564/4885GMNN 2381/4885

“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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