SCHEMBL9275162

SCHEMBL9275162

OCCOC1CCC=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10049689 1.00 NPC1 (0.35) NPC1ALDH1A1TSHR
SCHEMBL10049756 1.00 NPC1 (0.35) NPC1ALDH1A1TSHR
SCHEMBL9275152 1.00 NPC1 (0.35) NPC1ALDH1A1TSHR
SCHEMBL9275157 1.00 NPC1 (0.35) NPC1ALDH1A1TSHR
SCHEMBL10049953 1.00 NPC1 (0.35) NPC1ALDH1A1TSHR
SCHEMBL2623173 0.89 MEN1 (0.39) NPC1TSHR
SCHEMBL15305930 0.83 NPC1 (0.35) NPC1
SCHEMBL15397400 0.83 NPC1 (0.35) NPC1
SCHEMBL15305963 0.83 NPC1 (0.35) NPC1
SCHEMBL15397401 0.83 NPC1 (0.35) NPC1

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 11 patents. 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-9649394-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2017-05-16 US disclosed
EP-2595967-B1 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES UNIV DELAWARE (US) 2016-03-23 EP disclosed
US-20130309170-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION (US) 2013-11-21 US 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
WO-2012074840-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2012-06-07 WO 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 NPC1 569/4885ALDH1A1 3017/4885TSHR 4700/4885
US-20210038748-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 NPC1 569/4885ALDH1A1 3017/4885TSHR 4700/4885
US-20130309170-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 NPC1 569/4885ALDH1A1 3017/4885TSHR 4700/4885
US-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes TTL, TALDO1, TTI1 NPC1 3606/4885ALDH1A1 537/4885TSHR 238/4885
US-10653805-B2 Compositions and methods for in vivo imaging PARP1, PARP11, PARP2 NPC1 569/4885ALDH1A1 3017/4885TSHR 4700/4885
US-10117954-B2 Compositions and methods for in vivo imaging PARP1, PARP11, PARP2 NPC1 569/4885ALDH1A1 3017/4885TSHR 4700/4885
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes TTL, TALDO1, TTI1 NPC1 3606/4885ALDH1A1 537/4885TSHR 238/4885
US-20190201562-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 NPC1 569/4885ALDH1A1 3017/4885TSHR 4700/4885

“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.