SCHEMBL81329

SCHEMBL81329

CC(C)(C)OC(=O)NC1(C=Cc2ccc(OCCCc3ccccc3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR3 Q99500 2/20 0.34
AKR1C3 P42330 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
TTR P02766 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MTNR1B P49286 1/20 0.33
HPGD P15428 1/20 0.33
ALOX5 P09917 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 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
SCHEMBL81328 1.00 S1PR1 (0.36) S1PR1PPARGPPARAPPARDKDM4E
SCHEMBL80138 0.93 AAK1 (0.33) S1PR1PPARGPPARAPPARDALOX5
SCHEMBL80139 0.93 AAK1 (0.33) S1PR1PPARGPPARAPPARDALOX5
SCHEMBL86586 0.92 NPC1 (0.32) S1PR1PPARGPPARAPPARDS1PR3
SCHEMBL3631730 0.92 NPC1 (0.32) S1PR1PPARGPPARAPPARDS1PR3
SCHEMBL79782 0.92 AAK1 (0.32) S1PR1AAK1
SCHEMBL79783 0.92 AAK1 (0.32) S1PR1AAK1
SCHEMBL80092 0.91 HPGD (0.40) S1PR1KDM4EALDH1A1HPGDPOLB
SCHEMBL17051389 0.91 HPGD (0.40) S1PR1KDM4EALDH1A1HPGDPOLB
SCHEMBL80091 0.91 HPGD (0.40) S1PR1KDM4EALDH1A1HPGDPOLB

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 S1PR1 511/4885PPARG 1030/4885PPARA 601/4885

“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.