SCHEMBL3124337

SCHEMBL3124337

C=CCCCCC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ABCC4 O15439 1/20 0.54
ALDH1A1 P00352 7/20 0.52
LMNA P02545 2/20 0.52
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA4 P43681 1/20 0.44
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
RECQL P46063 1/20 0.38
EPHX2 P34913 2/20 0.37
HPGD P15428 1/20 0.37
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3110133 0.98 MAPT (0.57) MAPTABCC4ALDH1A1LMNACHRNB2
SCHEMBL3112734 0.98 MAPT (0.57) MAPTABCC4ALDH1A1LMNACHRNB2
SCHEMBL3112942 0.98 MAPT (0.57) MAPTABCC4ALDH1A1LMNACHRNB2
SCHEMBL3118989 0.98 MAPT (0.57) MAPTABCC4ALDH1A1LMNACHRNB2
SCHEMBL3112105 0.98 MAPT (0.57) MAPTABCC4ALDH1A1LMNACHRNB2
SCHEMBL3113047 0.93 ALDH1A1 (0.54) MAPTABCC4ALDH1A1LMNACHRNB2
SCHEMBL622807 0.84
SCHEMBL131476 0.81 ALDH1A1 (0.74) ALDH1A1LMNACHRNB2CHRNB4CHRNA4
SCHEMBL630594 0.80 ALDH1A1 (0.55) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL16802992 0.80 EPHX2 (0.54) MAPTABCC4ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168385-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS ACHILLE LIFE SCIENCES LIMITED (GB) 2022-06-02 US disclosed
WO-2022115651-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS HEPION PHARMACEUTICALS, INC. (US) 2022-06-02 WO disclosed
CN-113166091-A Pladienolide compounds and uses thereof 卫材R&D管理有限公司 2021-07-23 CN 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
WO-2012079172-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2012-06-21 WO disclosed
US-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 US disclosed
EP-1734061-B1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS INC (JP) 2010-04-07 EP disclosed
WO-2010012073-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES ISOTECHNIKA LABS INC. (CA) 2010-02-04 WO disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 US disclosed
US-7393907-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
EP-1734061-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS, INC. (JP) 2006-12-20 EP disclosed
US-20040122192-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. 2004-06-24 US disclosed
US-20020156207-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2002-10-24 US disclosed
EP-1186619-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof Mitsui Chemicals, Inc. (JP) 2002-03-13 EP 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-20220168385-A1 USE OF CYCLOSPORINE ANALOGUES AS ANTITHROMBOTIC AGENTS SERPINC1, CHP1, FGB MAPT 4712/4885ABCC4 1128/4885ALDH1A1 2833/4885

“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.