SCHEMBL350082

SCHEMBL350082

COCc1cccc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
TACR1 P25103 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.42
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SOD1 P00441 1/20 0.40
MAOB P27338 4/20 0.39
AGXT P21549 2/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL20999089 0.88 ESR1 (0.47) IDO1TACR1MAOBAGXT
SCHEMBL348504 0.86 TACR1 (0.54) IDO1TACR1MRGPRX4ACHEBCHE
SCHEMBL20795882 0.85 IDO1 (0.43) IDO1TACR1MAOBAGXTKIF11
SCHEMBL26245888 0.85 CYP4F2 (0.46) IDO1MAOB
SCHEMBL13252957 0.82 TACR1 (0.45) IDO1TACR1MRGPRX4ACHEBCHE
SCHEMBL171782 0.82 IDO1 (0.68) IDO1MAOB
SCHEMBL20795016 0.82 ESR1 (0.50) IDO1MAOB
SCHEMBL4476728 0.82 IDO1 (0.41) IDO1TACR1MAOBAGXT
SCHEMBL13798386 0.81 TACR1 (0.50) IDO1TACR1MRGPRX4ACHEBCHE
SCHEMBL13547854 0.81 TAAR1 (0.41) IDO1TACR1ACHEBCHEHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411564-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2012-02-01 EP claimed
WO-2010108874-A1 ELECTROCHEMICAL METHOD FOR PRODUCING 3 TERT.-BUTYL BENZALDEHYDE- DIMETHYLACETAL BASF SE (DE) 2010-09-30 WO claimed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 THE UNIVERSITY OF SUSSEX (GB) 2023-11-09 US disclosed
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 THE UNIVERSITY OF SUSSEX (GB) 2023-11-09 US disclosed
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-05 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-11530219-B2 Ligands to cereblon (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20090143412-A1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER HEALTHCARE LLC (US) 2009-06-04 US disclosed
US-7429584-B2 Furo[2.3-b]pyridine derivatives for the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-30 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (12 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 IDO1 1737/4885TACR1 4727/4885MRGPRX4 1653/4885
US-20090143412-A1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS NCOR1, NR3C1, NR3C2 IDO1 2168/4885TACR1 80/4885MRGPRX4 653/4885
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 LMTK3, LMTK2, LIMK1 IDO1 1853/4885TACR1 4787/4885MRGPRX4 3674/4885
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use HCAR1, HCAR2, PAICS IDO1 2912/4885TACR1 308/4885MRGPRX4 1055/4885
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) CRBN, CRKL, CDR2 IDO1 2998/4885TACR1 4336/4885MRGPRX4 1857/4885
US-11530219-B2 Ligands to cereblon (CRBN) CRBN, CRKL, CDR2 IDO1 2998/4885TACR1 4336/4885MRGPRX4 1857/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 IDO1 2567/4885TACR1 2238/4885MRGPRX4 1540/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 IDO1 1294/4885TACR1 193/4885MRGPRX4 201/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 IDO1 2739/4885TACR1 133/4885MRGPRX4 169/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP IDO1 1973/4885TACR1 3004/4885MRGPRX4 397/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS IDO1 2580/4885TACR1 1571/4885MRGPRX4 2219/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A IDO1 2974/4885TACR1 4189/4885MRGPRX4 3442/4885

“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.