SCHEMBL3679043

SCHEMBL3679043

[CH2]CCCCCCCCOCC=C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA7 P43166 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1005540 1.00 MEN1 (0.40) MEN1POLBKMT2ACA1CA2
SCHEMBL923937 1.00 MEN1 (0.40) MEN1POLBKMT2ACA1CA2
SCHEMBL9484160 1.00 MEN1 (0.40) MEN1POLBKMT2ACA1CA2
SCHEMBL9483038 1.00 MEN1 (0.40) MEN1POLBKMT2ACA1CA2
SCHEMBL9483893 1.00 MEN1 (0.40) MEN1POLBKMT2ACA1CA2
SCHEMBL28269242 0.98 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL459575 0.97
SCHEMBL28632214 0.95 MEN1 (0.40) MEN1POLBKMT2ACA1CA2
SCHEMBL3430285 0.93 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL926527 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825136-B2 Potentiators of antibacterial activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-20090291964-A1 Potentiators of Antibacterial Activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-26 US disclosed
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals VERTEX PHARMACEUTICALS INCORPORATED 2005-04-28 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 (2 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-20090291964-A1 Potentiators of Antibacterial Activity SLC11A2, MPO, ABCB11 MEN1 3232/4885POLB 456/4885KMT2A 4694/4885
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals TLR1, ABCB11, SLC7A1 MEN1 4245/4885POLB 2243/4885KMT2A 4284/4885

“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.