SCHEMBL81114

SCHEMBL81114

CC(C)(C)OC(=O)NC1(C=Cc2ccc(OCCCc3ccccc3F)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
AXL P30530 2/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 2/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
ALOX5 P09917 2/20 0.32
LMNA P02545 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
SCN9A Q15858 2/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL81113 1.00 PTPN1 (0.33) PTPN1AXLAKR1C3AKR1C2POLB
SCHEMBL81328 0.90 S1PR1 (0.36) AKR1C3POLBPKMALOX5AAK1
SCHEMBL81329 0.90 S1PR1 (0.36) AKR1C3POLBPKMALOX5AAK1
SCHEMBL80139 0.87 AAK1 (0.33) POLBALOX5AAK1PPARGPPARD
SCHEMBL80138 0.87 AAK1 (0.33) POLBALOX5AAK1PPARGPPARD
SCHEMBL2466662 0.86 THRA (0.42) AAK1
SCHEMBL2466667 0.86 THRA (0.42) AAK1
SCHEMBL3631730 0.86 NPC1 (0.32) AAK1PPARGPPARDPPARA
SCHEMBL86586 0.86 NPC1 (0.32) AAK1PPARGPPARDPPARA
SCHEMBL79782 0.85 AAK1 (0.32) AAK1CTSSCTSK

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 PTPN1 244/4885AXL 1875/4885AKR1C3 1806/4885

“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.