SCHEMBL2600044

SCHEMBL2600044

CC(C)(C)CCc1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.59
IGF1R P08069 3/20 0.59
MAPT P10636 5/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
ALOX5 P09917 1/20 0.57
BACE1 P56817 1/20 0.57
MAPK1 P28482 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 3/20 0.55
DRD2 P14416 3/20 0.55
DRD1 P21728 3/20 0.55
DRD4 P21917 3/20 0.55
DRD5 P21918 3/20 0.55
DRD3 P35462 3/20 0.55
TP53 P04637 2/20 0.55
THPO P40225 2/20 0.55
ADRA2A P08913 2/20 0.55
SLC6A2 P23975 2/20 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
SCHEMBL13205236 0.84 ESR1 (0.59) ALOX15IGF1RTP53TDP1
SCHEMBL14070035 0.84 ALOX15 (0.42) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL28664741 0.84 BACE1 (0.49) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL24443538 0.82 ALOX15 (0.53) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL14945729 0.82 KCNH2 (0.43) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL13252959 0.82 ALDH1A1 (0.52) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL13274042 0.81 BACE1 (0.64) ALOX15IGF1RALOX5BACE1TRPA1
SCHEMBL21377302 0.81 IAPP (0.69) ALOX15IGF1RMAPTKDM4EALDH1A1
SCHEMBL18883605 0.80 TAAR1 (0.67) ALDH1A1GAAALOX5MAPK1TDP1
SCHEMBL107956 0.79 ALOX15 (0.80) ALOX15IGF1RMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11666539-B2 Synthetic lipid-like materials for brain delivery TRUSTEES OF TUFTS COLLEGE (US) 2023-06-06 US disclosed
US-11666539-B2 Synthetic lipid-like materials for brain delivery TRUSTEES OF TUFTS COLLEGE (US) 2023-06-06 US disclosed
US-11633385-B2 Combination compositions for treatment of cancer REDHILL BIOPHARMA LTD. (IL) 2023-04-25 US disclosed
EP-4134076-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION Redhill Biopharma Ltd. (IL) 2023-02-15 EP disclosed
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same THE ROCKEFELLER UNIVERSITY (US) 2022-05-24 US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 US disclosed
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA REDHILL BIOPHARMA LTD (IL) 2021-12-02 US disclosed
US-9201014-B2 Development of photostable near-IR cyanine dyes for in vivo imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-12-01 US disclosed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US disclosed
US-20130101517-A1 DEVELOPMENT OF PHOTOSTABLE NEAR-IR CYANINE DYES FOR IN VIVO IMAGING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-04-25 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20120095004-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-04-19 US disclosed
US-20120095004-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-04-19 US disclosed
US-8063248-B2 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acidisopropylamide; antiproliferative, antiinflammatory agent, angiogenesis inhibitor; sphingolipid-derived signaling pathway; coupling acid or acylhalide of phenyl-adamantane derivatives with aminoalkyl-pyridine APOGEE BIOTECHNOLOGY CORPORATION (US) 2011-11-22 US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 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 (10 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-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same CLPP, MPO, SPOUT1 ALOX15 620/4885IGF1R 4444/4885MAPT 4462/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 ALOX15 1726/4885IGF1R 3908/4885MAPT 2961/4885
US-11666539-B2 Synthetic lipid-like materials for brain delivery NPC1L1, FABP7, LIPA ALOX15 190/4885IGF1R 4205/4885MAPT 357/4885
US-20120095004-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 ALOX15 822/4885IGF1R 1783/4885MAPT 1695/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALOX15 327/4885IGF1R 329/4885MAPT 4596/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 ALOX15 822/4885IGF1R 1783/4885MAPT 1695/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP ALOX15 3887/4885IGF1R 1595/4885MAPT 4013/4885
US-11633385-B2 Combination compositions for treatment of cancer KRAS, TPMT, CYP2D6 ALOX15 4225/4885IGF1R 980/4885MAPT 3015/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP ALOX15 3887/4885IGF1R 1595/4885MAPT 4013/4885
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA SPHK2, SPHK1, S1PR2 ALOX15 1726/4885IGF1R 3908/4885MAPT 2961/4885

“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.