SCHEMBL732453

SCHEMBL732453

COCC1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
TSHR P16473 1/20 0.32
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GBA1 P04062 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL12687457 1.00 SHBG (0.36) SHBGTSHRCYP3A4KDM4EJAK2
SCHEMBL11888192 1.00 SHBG (0.36) SHBGTSHRCYP3A4KDM4EJAK2
SCHEMBL131878 0.86
SCHEMBL17252249 0.86 JAK2 (0.31) JAK2JAK1TYK2JAK3
SCHEMBL10107071 0.86 JAK2 (0.31) JAK2JAK1TYK2JAK3
SCHEMBL17253449 0.86 JAK2 (0.31) JAK2JAK1TYK2JAK3
SCHEMBL14359930 0.85
SCHEMBL5552795 0.83
SCHEMBL19749310 0.81 SHBG (0.31) SHBG
SCHEMBL8616249 0.79 ESR1 (0.34) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 US disclosed
US-11208595-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2021-12-28 US disclosed
US-20200299580-A1 LIQUID-CRYSTALLINE COMPOUNDS MERCK PATENT GMBH (DE) 2020-09-24 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170362509-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-12-21 US disclosed
US-9809752-B2 Liquid crystal display device DIC CORPORATION (JP) 2017-11-07 US disclosed
US-9777220-B2 Polymerizable compound-containing liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2017-10-03 US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 US disclosed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 WO disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (9 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK SHBG 4804/4885TSHR 4605/4885CYP3A4 3171/4885
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CCNT1, POF1B, CCND3 SHBG 3494/4885TSHR 3371/4885CYP3A4 987/4885
US-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 SHBG 3284/4885TSHR 2378/4885CYP3A4 1622/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK SHBG 4804/4885TSHR 4605/4885CYP3A4 3171/4885
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 SHBG 4040/4885TSHR 4224/4885CYP3A4 2398/4885
US-11208595-B2 Liquid-crystalline compounds CHRM1, C1S, CHRM2 SHBG 615/4885TSHR 1920/4885CYP3A4 89/4885
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids DDT, TBCD, TBCA SHBG 4098/4885TSHR 564/4885CYP3A4 149/4885
US-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 SHBG 4429/4885TSHR 4787/4885CYP3A4 3028/4885
US-20200299580-A1 LIQUID-CRYSTALLINE COMPOUNDS CHRM1, C1S, CHRM2 SHBG 615/4885TSHR 1920/4885CYP3A4 89/4885

“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.