SCHEMBL4252573

SCHEMBL4252573

CCCCCCCCc1ccc(CCOC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.55
THRB P10828 6/20 0.55
ALDH1A1 P00352 4/20 0.55
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL19291196 1.00 THRA (0.55) THRATHRBALDH1A1ESR1ADRA2A
SCHEMBL13422217 0.89 PPARA (0.48) THRATHRBALDH1A1
SCHEMBL13783933 0.86 ALDH1A1 (0.59) THRATHRBALDH1A1ESR1ADRA2A
SCHEMBL23266209 0.86 ALDH1A1 (0.59) THRATHRBALDH1A1LMNATP53
Dodecylacetate SCHEMBL28973893 0.86 ALDH1A1 (0.65) THRATHRBALDH1A1ESR1ADRA2A
Octyl Acetate SCHEMBL4379323 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ELMNATP53CYP3A4
SCHEMBL8715648 0.85 RARB (0.64) THRATHRBALDH1A1KDM4EHSD17B10
SCHEMBL18643851 0.85 MAPT (0.62) THRATHRBALDH1A1ESR1LMNA
SCHEMBL4293988 0.85 THRA (0.57) THRATHRB
SCHEMBL8501592 0.85 THRA (0.57) THRATHRB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978154-A Preparation method of 4-octyl phenethyl alcohol 南京康德祥医药科技有限公司 2020-11-24 CN disclosed
EP-2807143-B1 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LTD (IN) 2017-08-30 EP disclosed
US-9216943-B2 Preparation of fingolimod and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-22 US disclosed
US-9056813-B2 Process for preparation of fingolimod GLENMARK GENERICS LIMITED (IN) 2015-06-16 US disclosed
US-20140235895-A1 PREPARATION OF FINGOLIMOD AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2014-08-21 US disclosed
WO-2014118556-A2 SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 WO disclosed
WO-2014118556-A2 SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 WO disclosed
US-8735627-B2 Intermediate compounds and process for the preparation of fingolimod MAPI PHARMA LTD. (IL) 2014-05-27 US disclosed
EP-2702034-A2 PREPARATION OF FINGOLIMOD AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2014-03-05 EP disclosed
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 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 (3 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-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD S1PR2, S1PR4, S1PR3 THRA 3775/4885THRB 3565/4885ALDH1A1 738/4885
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 THRA 973/4885THRB 965/4885ALDH1A1 1287/4885
US-20140235895-A1 PREPARATION OF FINGOLIMOD AND ITS SALTS S1PR4, S1PR2, S1PR1 THRA 2423/4885THRB 2954/4885ALDH1A1 4451/4885

“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.