SCHEMBL2450232

SCHEMBL2450232

OC1CCC(C2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 1/20 0.57
SLC18A3 Q16572 2/20 0.37
EPHX2 P34913 1/20 0.33
SHBG P04278 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ESR2 Q92731 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
SCHEMBL12876612 1.00 TSHR (0.60) TSHRALDH1A1SLC18A3EPHX2SHBG
SCHEMBL17070218 0.97 TSHR (0.56) TSHRALDH1A1SLC18A3EPHX2SHBG
SCHEMBL9396681 0.97 TSHR (0.56) TSHRALDH1A1SLC18A3EPHX2SHBG
SCHEMBL12428113 0.97 TSHR (0.56) TSHRALDH1A1SLC18A3EPHX2SHBG
SCHEMBL787666 0.97 TSHR (0.56) TSHRALDH1A1SLC18A3EPHX2SHBG
SCHEMBL219048 0.89 TSHR (0.50) TSHRALDH1A1EPHX2SHBGESR2
SCHEMBL7799823 0.89 TSHR (0.50) TSHRALDH1A1EPHX2SHBGESR2
SCHEMBL7077398 0.89 TSHR (0.50) TSHRALDH1A1EPHX2SHBGESR2
SCHEMBL10879751 0.89 TSHR (0.50) TSHRALDH1A1EPHX2SHBGESR2
Biphenyl SCHEMBL6720507 0.86 TSHR (0.71) TSHRALDH1A1SLC18A3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250043047-A1 POLYMERIZABLE MONOMERS AND METHOD OF POLYMERIZING THE SAME ALIGN TECHNOLOGY INC (US) 2025-02-06 US disclosed
CN-116640061-A Polymerizable monomer and polymerization method thereof 阿莱恩技术有限公司 2023-08-25 CN disclosed
CN-112074544-B Polymerizable monomer and polymerization method thereof 阿莱恩技术有限公司 2023-06-13 CN disclosed
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF GUANGZHOU OCUSUN OPHTHALMIC BIOTECHNOLOGY CO., LTD. (CN) 2023-01-26 US disclosed
EP-3800176-A1 NOVEL POLYMERISABLE MONOMERS AND THEIR USE AS REACTIVE DILUENTS IN CURABLE COMPOSITIONS Align Technology, Inc. (US) 2021-04-07 EP disclosed
US-20210002396-A1 POLYMERIZABLE MONOMERS AND METHOD OF POLYMERIZING THE SAME ALIGN TECHNOLOGY, INC. 2021-01-07 US disclosed
CN-112074544-A Polymerizable monomer and polymerization method thereof 阿莱恩技术有限公司 2020-12-11 CN disclosed
EP-3564206-B1 NOVEL POLYMERISABLE MONOMERS AND THEIR USE AS REACTIVE DILUENTS IN CURABLE COMPOSITIONS ALIGN TECHNOLOGY INC (US) 2020-11-04 EP disclosed
EP-3564206-B1 NOVEL POLYMERISABLE MONOMERS AND THEIR USE AS REACTIVE DILUENTS IN CURABLE COMPOSITIONS ALIGN TECHNOLOGY INC (US) 2020-11-04 EP disclosed
US-10781275-B2 Polymerizable monomers and method of polymerizing the same ALIGN TECHNOLOGY, INC. (US) 2020-09-22 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 WO disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20110003395-A1 SPECIFIC ANALYSIS OF ANALYTES USING REAGENT COMPOUNDS, LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2011-01-06 US disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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 (5 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 TSHR 452/4885ALDH1A1 3931/4885SLC18A3 3169/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 TSHR 452/4885ALDH1A1 3931/4885SLC18A3 3169/4885
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR TSHR 44/4885ALDH1A1 1773/4885SLC18A3 4797/4885
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF ROCK1, ROCK2, CIT TSHR 4222/4885ALDH1A1 2665/4885SLC18A3 2650/4885
US-20110003395-A1 SPECIFIC ANALYSIS OF ANALYTES USING REAGENT COMPOUNDS, LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW HSD17B7, HSD17B13, HSD11B1 TSHR 2467/4885ALDH1A1 70/4885SLC18A3 3452/4885

“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.