SCHEMBL4137974

SCHEMBL4137974

CCCCCCCOc1ccc(CCC2(NC(=O)OC(C)(C)C)COC(C)(C)OC2)cc1CF

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.35
THRB P10828 10/20 0.35
S1PR1 P21453 2/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4143290 1.00 THRA (0.35) THRATHRBS1PR1PLA2G2DPPARG
SCHEMBL4149000 0.93 THRA (0.36) THRATHRBS1PR1PLA2G2DPPARG
SCHEMBL4137663 0.93 THRA (0.36) THRATHRBS1PR1PLA2G2DPPARG
SCHEMBL4151811 0.88 S1PR1 (0.49) THRATHRBS1PR1PLA2G2DPPARG
SCHEMBL2467509 0.88 S1PR1 (0.49) THRATHRBS1PR1PLA2G2DPPARG
SCHEMBL2469111 0.88 THRA (0.35) THRATHRBS1PR1PPARGPPARD
SCHEMBL92974 0.86 PPARG (0.31) PPARGPPARA
SCHEMBL2462462 0.86 ALDH1A1 (0.45)
SCHEMBL2463686 0.86 ALDH1A1 (0.45)
SCHEMBL16140753 0.86 ALDH1A1 (0.45)

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 11 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-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
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
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US 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
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 THRA 705/4885THRB 536/4885S1PR1 370/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 THRA 705/4885THRB 536/4885S1PR1 370/4885

“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.