SCHEMBL17817569

SCHEMBL17817569

CCCCCC1CCC(CCCCCCOP(=O)(O)OCC[N+](C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
AKT1 P31749 2/20 0.55
ESR1 P03372 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CDC25A P30304 1/20 0.55
AGTR1 P30556 1/20 0.55
ADRA1A P35348 1/20 0.55
KCNH2 Q12809 1/20 0.55
FABP3 P05413 1/20 0.47
LPAR3 Q9UBY5 3/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 2/20 0.45
PRKD3 O94806 2/20 0.44
PRKCG P05129 2/20 0.44
PRKCB P05771 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCH P24723 2/20 0.44
PRKCI P41743 2/20 0.44
PRKCE Q02156 2/20 0.44
PRKCQ Q04759 2/20 0.44

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
SCHEMBL17817229 0.88 AKT1 (0.45) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL23016753 0.88 AKT1 (0.45) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL17817209 0.88 AKT1 (0.45) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL2696736 0.88 LMNA (0.42) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL339731 0.88 LMNA (0.42) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL2696843 0.88 LMNA (0.42) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL2694596 0.88 LMNA (0.42) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL14447829 0.87 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL62054 0.87 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL2695075 0.87 LMNA (0.70) LMNAAKT1ESR1ADORA3CDC25A

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 2 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

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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 LMNA 2135/4885AKT1 2455/4885ESR1 1835/4885

“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.