SCHEMBL432285

SCHEMBL432285

O=C(O)COC1CC/C=C\CCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
PTGIR P43119 6/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.32
ADCY5 O95622 1/20 0.32
ATF4 P18848 2/20 0.31

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
SCHEMBL11913660 1.00 ITGB3 (0.38) ITGB3ITGA2BTHRATHRBPTGIR
SCHEMBL18674316 1.00 ITGB3 (0.38) ITGB3ITGA2BTHRATHRBPTGIR
SCHEMBL30962323 1.00 ITGB3 (0.38) ITGB3ITGA2BTHRATHRBPTGIR
SCHEMBL11918037 1.00 ITGB3 (0.38) ITGB3ITGA2BTHRATHRBPTGIR
SCHEMBL461965 1.00 ITGB3 (0.38) ITGB3ITGA2BTHRATHRBPTGIR
Hydrochloric Acid SCHEMBL22635011 0.98 ITGB3 (0.38) ITGB3ITGA2BTHRATHRBPTGIR
SCHEMBL360541 0.83 ITGB3 (0.41) ITGB3ITGA2BTHRATHRBPTGIR
SCHEMBL1733927 0.83
SCHEMBL22635010 0.83 ATF4 (0.33) ATF4
SCHEMBL22635009 0.83 ATF4 (0.33) ATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210038748-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2021-02-11 US disclosed
US-10653805-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2020-05-19 US disclosed
US-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes UNIVERSITY OF DELAWARE (US) 2019-10-08 US disclosed
US-20190201562-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2019-07-04 US disclosed
US-10117954-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2018-11-06 US disclosed
US-20180015186-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2018-01-18 US disclosed
US-20180015186-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2018-01-18 US disclosed
US-9649394-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2017-05-16 US disclosed
US-9649394-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2017-05-16 US disclosed
US-9649394-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2017-05-16 US disclosed
US-20130309170-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION (US) 2013-11-21 US disclosed
EP-2654796-A1 AGENTS FOR CLEARING BIOMOLECULES FROM CIRCULATION Koninklijke Philips N.V. (NL) 2013-10-30 EP disclosed
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-10-10 US disclosed
EP-2595967-A2 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES University Of Delaware (US) 2013-05-29 EP disclosed
WO-2012085789-A1 AGENTS FOR CLEARING BIOMOLECULES FROM CIRCULATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-06-28 WO disclosed
WO-2012074840-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2012-06-07 WO disclosed
WO-2012074840-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2012-06-07 WO disclosed
WO-2012012612-A2 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES UNIVERSITY OF DELAWARE (US) 2012-01-26 WO disclosed
US-4780564-A PERFUMES, COSMETICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-10-25 US disclosed
US-4755502-A Allyl-4-cyclooctenyl glycolate, organoleptic uses thereof, process for preparing same and intermediates useful in said process INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-07-05 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 (8 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-20180015186-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 ITGB3 109/4885ITGA2B 429/4885THRA 4667/4885
US-20210038748-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 ITGB3 109/4885ITGA2B 429/4885THRA 4667/4885
US-20130309170-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 ITGB3 109/4885ITGA2B 429/4885THRA 4667/4885
US-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes TTL, TALDO1, TTI1 ITGB3 2868/4885ITGA2B 2932/4885THRA 160/4885
US-10653805-B2 Compositions and methods for in vivo imaging PARP1, PARP11, PARP2 ITGB3 109/4885ITGA2B 429/4885THRA 4667/4885
US-10117954-B2 Compositions and methods for in vivo imaging PARP1, PARP11, PARP2 ITGB3 109/4885ITGA2B 429/4885THRA 4667/4885
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes TTL, TALDO1, TTI1 ITGB3 2868/4885ITGA2B 2932/4885THRA 160/4885
US-20190201562-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 ITGB3 109/4885ITGA2B 429/4885THRA 4667/4885

“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.