SCHEMBL13010229

SCHEMBL13010229

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ANPEP P15144 1/20 0.32
CYP2C19 P33261 1/20 0.31
MMP1 P03956 5/20 0.31
MMP3 P08254 4/20 0.31
MMP9 P14780 4/20 0.31
MMP2 P08253 3/20 0.31
MMP7 P09237 2/20 0.31
MMP8 P22894 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
MMP20 O60882 1/20 0.31
ADAMTS4 O75173 1/20 0.31
TNF P01375 1/20 0.31
MMP10 P09238 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
MMP15 P51511 1/20 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
SCHEMBL11990752 1.00 TSHR (0.50) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL22623946 1.00 TSHR (0.50) TSHRMAPK1ALDH1A1ANPEPCYP2C19
SCHEMBL9960449 0.84 TSHR (0.42) TSHRMMP1MMP3MMP9
SCHEMBL12081199 0.83 TSHR (0.59) TSHRMAPK1
SCHEMBL75925 0.83 TSHR (0.59) TSHRMAPK1
SCHEMBL18574459 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
SCHEMBL28596370 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
SCHEMBL5907085 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
Isopropyl Alcohol SCHEMBL3263965 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1
Isopropyl Alcohol SCHEMBL9614918 0.81 TSHR (0.50) TSHRMAPK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-9932320-B2 Quinoline-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-03 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20160332985-A1 Quinoline-Based Kinase Inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-11-17 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
EP-2259137-A1 ORIGINAL PLATE FOR LITHOGRAPHIC PRINTING PLATE, AND METHOD FOR PRODUCTION OF LITHOGRAPHIC PRINTING PLATE USING THE SAME FUJIFILM Corporation (JP) 2010-12-08 EP disclosed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
EP-1958956-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-08-20 EP disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 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 (10 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK TSHR 2059/4885MAPK1 437/4885ALDH1A1 2112/4885
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 TSHR 4215/4885MAPK1 3571/4885ALDH1A1 1358/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 TSHR 1340/4885MAPK1 652/4885ALDH1A1 3298/4885
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 TSHR 1038/4885MAPK1 105/4885ALDH1A1 1526/4885
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 839/4885MAPK1 1830/4885ALDH1A1 1558/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK TSHR 3509/4885MAPK1 320/4885ALDH1A1 4454/4885
US-20160332985-A1 Quinoline-Based Kinase Inhibitors AAK1, EEF2K, ADCK1 TSHR 4545/4885MAPK1 432/4885ALDH1A1 3172/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE TSHR 3617/4885MAPK1 3783/4885ALDH1A1 300/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK TSHR 3509/4885MAPK1 320/4885ALDH1A1 4454/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 TSHR 3195/4885MAPK1 356/4885ALDH1A1 4225/4885

“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.