SCHEMBL80665

SCHEMBL80665

COCOCC(C)(C=Cc1ccc(OCc2ccccc2)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
APP P05067 4/20 0.39
MRGPRX4 Q96LA9 4/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
CYP2C9 P11712 1/20 0.37
PTGER1 P34995 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL17050396 0.91 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EAPPMRGPRX4
SCHEMBL17051792 0.90 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EAPPMRGPRX4
SCHEMBL17051387 0.89 KDM4E (0.43) ALDH1A1HPGDKDM4EAPPMRGPRX4
SCHEMBL17050394 0.81 KDM4E (0.42) ALDH1A1HPGDKDM4EAPPMRGPRX4
SCHEMBL79148 0.80 HPGD (0.37) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL79149 0.80 HPGD (0.37) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL79150 0.80 HPGD (0.37) ALDH1A1HPGDKDM4EAPPHTT
SCHEMBL17051394 0.72 BACE1 (0.50) KDM4E
SCHEMBL80092 0.72 HPGD (0.40) ALDH1A1HPGDKDM4EAPPMRGPRX4
SCHEMBL80091 0.72 HPGD (0.40) ALDH1A1HPGDKDM4EAPPMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 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 (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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 ALDH1A1 843/4885HPGD 1596/4885KDM4E 2262/4885
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ALDH1A1 408/4885HPGD 2130/4885KDM4E 2675/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 ALDH1A1 843/4885HPGD 1596/4885KDM4E 2262/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C ALDH1A1 646/4885HPGD 2722/4885KDM4E 1233/4885

“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.