SCHEMBL80092

SCHEMBL80092

CC(C)(C)OC(=O)NC1(C=Cc2ccc(OCc3ccccc3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.37
MRGPRX4 Q96LA9 5/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
HTT P42858 1/20 0.36
APP P05067 5/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL80091 1.00 HPGD (0.40) HPGDKDM4EALDH1A1LMNAMRGPRX4
SCHEMBL17051389 1.00 HPGD (0.40) HPGDKDM4EALDH1A1LMNAMRGPRX4
SCHEMBL81329 0.91 S1PR1 (0.36) HPGDKDM4EALDH1A1S1PR1POLB
SCHEMBL81328 0.91 S1PR1 (0.36) HPGDKDM4EALDH1A1S1PR1POLB
SCHEMBL17050399 0.91 HPGD (0.40) HPGDKDM4EALDH1A1LMNAMRGPRX4
SCHEMBL17050378 0.91 HPGD (0.40) HPGDKDM4EALDH1A1LMNAMRGPRX4
SCHEMBL80139 0.86 AAK1 (0.33) MRGPRX4S1PR1POLB
SCHEMBL80138 0.86 AAK1 (0.33) MRGPRX4S1PR1POLB
SCHEMBL2466667 0.85 THRA (0.42) APPS1PR1
SCHEMBL2466662 0.85 THRA (0.42) APPS1PR1

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 4 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-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

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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C HPGD 2722/4885KDM4E 1233/4885ALDH1A1 646/4885

“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.