SCHEMBL12400239

SCHEMBL12400239

COC(=O)Cc1cccc(CC(=O)OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.68
▸ HSP90AB1 P08238 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ CYP4F2 P78329 2/20 0.55
▸ CYP4A11 Q02928 2/20 0.55
▸ HPGD P15428 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48

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
SCHEMBL4394735 0.94 SLC7A5 (0.62) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL1560308 0.92 SLC7A5 (0.65) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL7718934 0.92 SLC7A5 (0.60) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL694460 0.92 SLC7A5 (0.65) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL12508635 0.92 SLC7A5 (0.60) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL480042 0.91 SLC7A5 (0.59) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL5552116 0.91 SLC7A5 (0.59) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL8655484 0.91 SLC7A5 (0.59) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL335779 0.91 SLC7A5 (0.59) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL5046679 0.91 SLC7A5 (0.63) SLC7A5HSP90AB1ALDH1A1GAAGFER

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170951-A1 AMIDE-LINKED EP4 AGONIST-BISPHOSPHONATE COMPOUNDS AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2018-06-21 — — US disclosed
EP-2764866-A1 Inhibitors of nedd8-activating enzyme IP Gesellschaft für Management mbH (DE) 2014-08-13 — — EP disclosed
EP-2764866-A1 Inhibitors of nedd8-activating enzyme IP Gesellschaft für Management mbH (DE) 2014-08-13 — — EP disclosed
WO-2013021309-A1 INTERMEDIATE AND PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE PFIZER LIMITED (GB) 2013-02-14 — — WO disclosed
WO-2013021309-A1 INTERMEDIATE AND PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE PFIZER LIMITED (GB) 2013-02-14 — — WO disclosed
US-20110184105-A1 Phenylene Oxo-Diester Plasticizers and Methods of Making EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-07-28 — — US disclosed
US-20110184105-A1 Phenylene Oxo-Diester Plasticizers and Methods of Making EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-07-28 — — US disclosed
WO-2011041349-A1 PHENYLENE OXO-DIESTER PLASTICIZERS AND METHODS OF MAKING EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-04-07 — — WO disclosed
US-20070231754-A1 Black and white photothermographic material FUJIFILM CORPORATION 2007-10-04 — — US disclosed
US-20070196778-A1 Black and white photothermographic material FUJIFILM CORPORATION 2007-08-23 — — US disclosed
US-20070196779-A1 Black and white photothermographic material FUJIFILM CORPORATION 2007-08-23 — — US disclosed
US-20070196777-A1 Black and white photothermographic material FUJIFILM CORPORATION 2007-08-23 — — US disclosed
US-20070065764-A1 Black and white photothermographic material and image forming method FUJI PHOTO FILM CO., LTD. 2007-03-22 — — US disclosed
US-20070065763-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-03-22 — — US disclosed
US-20070065762-A1 Black and white photothermographic material and image forming method FUJI PHOTO FILM CO., LTD. 2007-03-22 — — US disclosed
US-20070031765-A1 Black and white photothermographic material FUJI PHOTO FILM CO., LTD. 2007-02-08 — — US disclosed
US-20070026348-A1 Black and white photothermographic material and image forming method FUJI PHOTO FILM CO., LTD. 2007-02-01 — — US disclosed
US-20070003885-A1 Black and white photothermographic material and image forming method FUJI PHOTO FILM CO., LTD. 2007-01-04 — — 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 (2 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-20180170951-A1 AMIDE-LINKED EP4 AGONIST-BISPHOSPHONATE COMPOUNDS AND USES THEREOF PTGER4, ENPP2, PTGER3 SLC7A5 2071/4885HSP90AB1 3464/4885ALDH1A1 2130/4885
US-20110184105-A1 Phenylene Oxo-Diester Plasticizers and Methods of Making HPD, DDT, PAOX SLC7A5 4750/4885HSP90AB1 4176/4885ALDH1A1 437/4885

“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.

Send feedback