SCHEMBL16012946

SCHEMBL16012946

CCCCCC=CCC=CCCCCCCCCOc1cc(C(=O)OCCN(C)C)cc(OCCCCCCCCC=CCC=CCCCCC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL16012945 1.00 ESR1 (0.43) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL16012923 0.95 ESR1 (0.45) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL16012922 0.95 ESR1 (0.45) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL21300622 0.95 ESR1 (0.45) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL17685812 0.91 ESR1 (0.52) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL16154809 0.91 ESR1 (0.52) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL21698664 0.91 ESR1 (0.52) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL25231397 0.89 ESR1 (0.52) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL23655797 0.88 ESR1 (0.49) ESR1AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL25708309 0.84 ESR1 (0.50) ESR1AKR1C3AKR1C4AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-10-06 — — US claimed
US-20180369386-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-12-27 — — US claimed
US-20160106842-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-04-21 — — US claimed
EP-3608308-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2021-07-21 — — EP disclosed
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-10-06 — — US disclosed
EP-3608308-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2020-02-12 — — EP disclosed
EP-2964608-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2019-08-28 — — EP disclosed
US-20180369386-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-12-27 — — US disclosed
US-10124065-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2018-11-13 — — US disclosed
US-20160106842-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-04-21 — — US disclosed
EP-2964608-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2016-01-13 — — EP disclosed
WO-2014136086-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2014-09-12 — — WO 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 (4 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-10124065-B2 Lipids and lipid compositions for the delivery of active agents LIPA, LPAR1, LPAR4 ESR1 3004/4885AKR1C3 728/4885AKR1C4 921/4885
US-20180369386-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, LPAR1, LPAR4 ESR1 3004/4885AKR1C3 728/4885AKR1C4 921/4885
US-20160106842-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, LPAR1, LPAR4 ESR1 3004/4885AKR1C3 728/4885AKR1C4 921/4885
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents LIPA, LPAR1, LPAR4 ESR1 3004/4885AKR1C3 728/4885AKR1C4 921/4885

“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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