SCHEMBL9968859

SCHEMBL9968859

C=CCCCCCCNC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
MAPK1 P28482 1/20 0.67
HIF1A Q16665 1/20 0.67
PAOX Q6QHF9 3/20 0.55
ADRA1A P35348 1/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.47
ABCC4 O15439 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
TSHR P16473 2/20 0.43
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.39
NAMPT P43490 1/20 0.39
ALOX15 P16050 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
SCHEMBL20859581 1.00 KDM4E (0.67) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL9312119 0.98 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL9314179 0.91
SCHEMBL11326199 0.83 EPHX1 (0.52) ALDH1A1LMNAMAPTABCC4ZDHHC20
SCHEMBL31208245 0.82 ALDH1A1 (0.46) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL273387 0.82
SCHEMBL1900654 0.82 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL6516953 0.82 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14740196 0.82 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL1847535 0.82 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115651-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS HEPION PHARMACEUTICALS, INC. (US) 2022-06-02 WO disclosed
US-20220168385-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS ACHILLE LIFE SCIENCES LIMITED (GB) 2022-06-02 US disclosed
EP-2914256-B1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF AILERON THERAPEUTICS INC (US) 2019-07-31 EP disclosed
EP-3461835-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ContraVir Pharmaceuticals, Inc. (US) 2019-04-03 EP disclosed
WO-2018106928-A1 TREATMENT AND PREVENTION OF HBV DISEASES BY CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACIDES 1 AND 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2018-06-14 WO disclosed
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-9200038-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CICLOFILIN PHARMACEUTICALS CORP. (CA) 2015-12-01 US disclosed
US-9200038-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CICLOFILIN PHARMACEUTICALS CORP. (CA) 2015-12-01 US disclosed
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2014-05-22 US disclosed
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2014-05-22 US disclosed
US-20130190223-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES ISOTECHNIKA PHARMA INC. (CA) 2013-07-25 US disclosed
US-20130190223-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES ISOTECHNIKA PHARMA INC. (CA) 2013-07-25 US disclosed
WO-2012079172-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2012-06-21 WO disclosed
WO-2010012073-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES ISOTECHNIKA LABS INC. (CA) 2010-02-04 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-20130190223-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES CD40, FKBP1A, FKBP4 KDM4E 3106/4885MAPK1 3138/4885HIF1A 1044/4885
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 FKBP1A, CHP1, FKBP3 KDM4E 3615/4885MAPK1 2179/4885HIF1A 2427/4885
US-20220168385-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS SERPINC1, CHP1, FGB KDM4E 4443/4885MAPK1 2846/4885HIF1A 2142/4885
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 FKBP1A, CHP1, FKBP3 KDM4E 3615/4885MAPK1 2179/4885HIF1A 2427/4885

“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.