SCHEMBL2470710

SCHEMBL2470710

CCC(C)OC(=O)C(CCc1ccc(OC)c(C)c1)(NC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
TAS1R3 Q7RTX0 5/20 0.38
TAS1R1 Q7RTX1 5/20 0.38
FFAR1 O14842 1/20 0.37
FFAR2 O15552 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2469798 0.87 S1PR1 (0.37) HDAC1HDAC2
SCHEMBL2468553 0.82 TAS1R3 (0.45) TAS1R3TAS1R1ALDH1A1RECQLKMT2A
SCHEMBL5366585 0.82 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1RECQLHDAC1
SCHEMBL2470708 0.81 PKM (0.51) HPGDALDH1A1RECQLKMT2AHTT
SCHEMBL16013113 0.79 S1PR1 (0.42) ALDH1A1KMT2A
SCHEMBL5365525 0.77 ALDH1A1 (0.39) ALDH1A1RECQL
SCHEMBL5363745 0.77 ACACB (0.42) TAS1R3TAS1R1ALDH1A1RECQLKMT2A
SCHEMBL5361416 0.76 ALDH1A1 (0.43) ALDH1A1RECQLHDAC1HDAC2
SCHEMBL1497878 0.76 FFAR1 (0.44) FFAR1FFAR4BCHEKMT2A
SCHEMBL5369783 0.75 ALDH1A1 (0.38) ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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 (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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 HPGD 1596/4885TAS1R3 4041/4885TAS1R1 3611/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 HPGD 1596/4885TAS1R3 4041/4885TAS1R1 3611/4885

“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.