SCHEMBL17817229

SCHEMBL17817229

CCCCCCCCC[C@H]1CC[C@H](OP(=O)(O)OCC[N+](C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.45
LMNA P02545 2/20 0.45
ESR1 P03372 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CDC25A P30304 1/20 0.45
AGTR1 P30556 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45
FABP3 P05413 1/20 0.42
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 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
SCHEMBL17817209 1.00 AKT1 (0.45) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL23016753 1.00 AKT1 (0.45) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL17817569 0.88 LMNA (0.55) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL17832987 0.88 AKT1 (0.40) AKT1MEN1KMT2ATERTUCHL3
SCHEMBL338888 0.84 FABP3 (0.41) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL339774 0.84 FABP3 (0.41) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL9485299 0.84 S1PR1 (0.43) AKT1MEN1KMT2ATERTUCHL3
SCHEMBL9485449 0.84 S1PR1 (0.43) AKT1MEN1KMT2ATERTUCHL3
SCHEMBL17817658 0.82 AKT1 (0.37) AKT1MEN1KMT2ATERTUCHL3
SCHEMBL24104635 0.82 AKT1 (0.37) AKT1MEN1KMT2ATERTUCHL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
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 AKT1 2455/4885LMNA 2135/4885ESR1 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.