SCHEMBL7917694

SCHEMBL7917694

CC(C)C(=O)CC(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TET2 Q6N021 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
SCHEMBL10308344 0.80 KDM4E (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL7910108 0.80 HMGCR (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL11161149 0.79 PIK3CD (0.39) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10308343 0.77 HMGCR (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL12835664 0.77 HMGCR (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10308339 0.77 HMGCR (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10308379 0.77 HMGCR (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL17449479 0.76 PIK3CD (0.35) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL22253948 0.76 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10212337 0.76 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487113-A Aqueous polyurethane emulsion and preparation method and application thereof 上海华峰新材料研发科技有限公司 2024-02-02 CN claimed
CN-117487113-A Aqueous polyurethane emulsion and preparation method and application thereof 上海华峰新材料研发科技有限公司 2024-02-02 CN disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
CN-102841504-B Positive photosensitive resin composition and method for forming pattern using the same CHI MEI CORP 2015-03-25 CN disclosed
US-20130260402-A1 ANTHRAX CARBOHYDRATES, SYNTHESIS AND USES THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (WASHINGTON D.C.) 2013-10-03 US disclosed
US-8420607-B2 Anthrax carbohydrates, synthesis and uses thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-04-16 US disclosed
US-20120328799-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERNS BY USING THE SAME CHI MEI CORPORATION (TW) 2012-12-27 US disclosed
CN-102841504-A Positive photosensitive resin composition and method for forming pattern using the same CHI MEI CORP 2012-12-26 CN disclosed
US-7910587-B2 Quinoxalinyl dipeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-7910587-B2 Quinoxalinyl dipeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2008134398-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 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 (6 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR PIK3CD 300/4885HMGCR 4502/4885CHRM1 518/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 PIK3CD 569/4885HMGCR 3288/4885CHRM1 4454/4885
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD PIK3CD 2815/4885HMGCR 2060/4885CHRM1 4570/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD PIK3CD 1933/4885HMGCR 2113/4885CHRM1 4656/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR PIK3CD 284/4885HMGCR 4454/4885CHRM1 494/4885
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 PIK3CD 1196/4885HMGCR 4569/4885CHRM1 1784/4885

“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.