SCHEMBL1358415

SCHEMBL1358415

CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 2/20 0.59
GRIN1 Q05586 1/20 0.59
GRIN2B Q13224 1/20 0.59
GPBAR1 Q8TDU6 6/20 0.54
HSD17B10 Q99714 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
AKR1B10 O60218 2/20 0.54
AKR1B1 P15121 2/20 0.54
EPHA2 P29317 2/20 0.54
LMNA P02545 2/20 0.54
EFNA1 P20827 1/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CASP7 P55210 3/20 0.53

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
SCHEMBL19506485 0.91 GRIN2A (0.70) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL19506280 0.91 GRIN2A (0.70) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL21257625 0.89 GRIN2A (0.58) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL21257629 0.89 GRIN2A (0.58) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL21257623 0.89 GRIN2A (0.58) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL21257887 0.88 GRIN2A (0.57) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL16860684 0.88 CYP2D6 (0.67) GRIN2AGRIN1GRIN2BLMNAMEN1
SCHEMBL933404 0.88 CYP2D6 (0.67) GRIN2AGRIN1GRIN2BLMNAMEN1
SCHEMBL21257788 0.87 GRIN2A (0.59) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL21257866 0.87 GRIN2A (0.59) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110314166-A Application of the Tauro ursodesoxy cholic acid in anti-hand-foot-and-mouth-disease poison and vesicular stomatitis virus drug 武汉大学 2019-10-11 CN disclosed
CN-105891351-B A kind of new Tauro ursodesoxy cholic acid content and the detection method in relation to substance 中山百灵生物技术有限公司 2019-03-01 CN disclosed
CN-104382911-B Application of the Tauro ursodesoxy cholic acid salt as active component in treatment Echinococcus Granulosus Cysts medicine is prepared 姜玉峰 2017-09-15 CN disclosed
CN-106031731-A New uses of tauroursodeoxycholic acid 中国医学科学院基础医学研究所 2016-10-19 CN disclosed
CN-105699501-A Method for detecting impurities in tauroursodeoxycholic acid through high performance liquid chromatograph 成都欣捷高新技术开发有限公司 2016-06-22 CN disclosed
CN-103445007-B Tauro ursodesoxy cholic acid is alleviating the application in chicken heat shock as feed addictive SOUTH CHINA AGRICULTURAL UNIVERSITY (CN) 2015-09-30 CN disclosed
US-9085602-B1 Facial amphiphiles and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-21 US disclosed
CN-104382911-A Application of tauroursodeoxycholic acid salt used as active ingredient in preparation of drug for treating echinococcosis JIANG YUFENG 2015-03-04 CN disclosed
CN-103919787-A Pharmaceutical application of tauroursodeoxycholic acid and acceptable salts thereof UNIV XIAMEN 2014-07-16 CN disclosed
CN-103445007-A Application of tauroursodeoxycholic acid as feed additive in aspect of alleviating chicken heat stress UNIV SOUTH CHINA AGRICULT 2013-12-18 CN disclosed
US-20090175786-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2009-07-09 US disclosed
US-20080247946-A1 Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy BRACCO IMAGING S.P.A. (IT) 2008-10-09 US disclosed
US-20080008649-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2008-01-10 US disclosed
US-20070231257-A1 Radiodiagnosis, radiotherapy BRACCO IMAGING S.P.A. (IT) 2007-10-04 US disclosed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 US disclosed
US-20060239914-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 US disclosed
US-20060241018-A1 Linkers for radiopharmaceutical compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 US disclosed
CN-1738652-A Improved linkers for pharmaceutical compounds BRACCO IMAGING SPA (IT) 2006-02-22 CN disclosed
US-20060018830-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-01-26 US disclosed
US-4117121-A 3ALPHA, 12ALPHA DIHYDROXYCHOLANE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1978-09-26 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 (7 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-20060239914-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR GRIN2A 1511/4885GRIN1 1289/4885GRIN2B 1943/4885
US-20090175786-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR GRIN2A 1665/4885GRIN1 1513/4885GRIN2B 2202/4885
US-20080008649-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR GRIN2A 1665/4885GRIN1 1513/4885GRIN2B 2202/4885
US-20060018830-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR GRIN2A 1511/4885GRIN1 1289/4885GRIN2B 1943/4885
US-20060241018-A1 Linkers for radiopharmaceutical compounds VIP, QPCT, NPPA GRIN2A 4756/4885GRIN1 4739/4885GRIN2B 4659/4885
US-20070231257-A1 Radiodiagnosis, radiotherapy GRPR, MRGPRX2, MRGPRX1 GRIN2A 2131/4885GRIN1 1823/4885GRIN2B 1596/4885
US-20080247946-A1 Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy GRPR, MRGPRX1, BRS3 GRIN2A 2616/4885GRIN1 1807/4885GRIN2B 2032/4885

“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.