SCHEMBL104714

SCHEMBL104714

CC(C)NCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
HTT P42858 1/20 0.44
EPHX1 P07099 3/20 0.40
SIGMAR1 Q99720 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37

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
SCHEMBL22899465 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14176594 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL105260 0.97 HTT (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL104968 0.92
SCHEMBL104225 0.89
SCHEMBL17369631 0.89 SIGMAR1 (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13884246 0.89 SIGMAR1 (0.45) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL21879609 0.86
SCHEMBL23967621 0.83 HTT (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11456185 0.83 EPHX1 (0.41) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
EP-4268824-A1 IMIDAZO[2,1-F][1,2,4]TRIAZINE DERIVATIVES USEFUL AS A MEDICAMENT Manros Therapeutics (FR) 2023-11-01 EP disclosed
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-08-17 US disclosed
US-20230233690-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-07-27 US disclosed
US-20230233690-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-07-27 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER ATHOS THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
CN-1620485-A Polymer derivatives for the treatment of metals BASF AG (DE) 2005-05-25 CN 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ADH1B 4657/4885ADH1C 3647/4885ADH1A 4874/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ADH1B 4588/4885ADH1C 4405/4885ADH1A 4447/4885
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER SSB, HLA-DRB1, UACA ADH1B 2217/4885ADH1C 4732/4885ADH1A 4609/4885
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS AR, SHBG, CYP19A1 ADH1B 637/4885ADH1C 450/4885ADH1A 254/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS ADH1B 396/4885ADH1C 659/4885ADH1A 1620/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 ADH1B 1150/4885ADH1C 423/4885ADH1A 136/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 ADH1B 2408/4885ADH1C 1148/4885ADH1A 1229/4885
US-20230233690-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS AR, SHBG, CYP19A1 ADH1B 435/4885ADH1C 345/4885ADH1A 182/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A ADH1B 2352/4885ADH1C 3288/4885ADH1A 1781/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ADH1B 2577/4885ADH1C 2203/4885ADH1A 3124/4885

“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.