SCHEMBL92887

SCHEMBL92887

CCCC(C)(O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
FDPS P14324 1/20 0.35
CES1 P23141 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL11990036 1.00 ALDH1A1 (0.35) ALDH1A1FDPSCES1NR1H2NR1H3
SCHEMBL11990032 1.00 ALDH1A1 (0.35) ALDH1A1FDPSCES1NR1H2NR1H3
SCHEMBL10049864 0.86 ALDH1A1 (0.33) ALDH1A1FDPSCES1
SCHEMBL5857345 0.84 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9976286 0.83 CES1 (0.38) CES1
SCHEMBL25948178 0.83 CES1 (0.38) CES1
SCHEMBL30156510 0.83 CES1 (0.38) CES1
SCHEMBL493979 0.81 CES2 (0.43) FDPSCES1
SCHEMBL2823350 0.81 ALDH1A1 (0.44) ALDH1A1FDPS
SCHEMBL21087422 0.79 CES2 (0.47) FDPSCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 WO disclosed
US-11785845-B2 Composition FUJIFILM CORPORATION (JP) 2023-10-10 US disclosed
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 US disclosed
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-05-25 US disclosed
US-20180031967-A1 PHOTOACID GENERATOR AND PHOTORESIST COMPOSITION INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-02-01 US disclosed
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2017-03-16 US disclosed
US-9484248-B2 Patternable dielectric film structure with improved lithography and method of fabricating same GLOBALFOUNDRIES INC. (KY) 2016-11-01 US disclosed
EP-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-9328179-B2 Water soluble norbornene-type polymers and photoimageable compositions thereof PROMERUS, LLC (US) 2016-05-03 US disclosed
US-20110045387-A1 Method of Forming a Relief Pattern by E-Beam Lithography Using Chemical Amplification, and Derived Articles INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-02-24 US disclosed
US-20110009578-A1 Use Of A Combination Chain Transfer And Activating Agent To Control Molecular Weight And Optical Density Of Pd Catalyzed Norbornene Polymers PROMERUS LLC (US) 2011-01-13 US disclosed
US-20100055621-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-04 US disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
US-20090208886-A1 DOUBLE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009039268-A1 SPIN-ON ANTIREFLECTIVE COATING FOR INTEGRATION OF PATTERNABLE DIELECTRIC MATERIALS AND INTERCONNECT STRUCTURES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-03-26 WO disclosed
WO-2008121804-A1 USE OF A COMBINATION CHAIN TRANSFER AND ACTIVATING AGENT TO CONTROL MOLECULAR WEIGHT AND OPTICAL DENSITY OF PD CATALYZED NORBORNENE POLYMERS PROMERUS LLC (US) 2008-10-09 WO disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025799-A1 PYRIDAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO 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-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors SLC18A2, SLC6A2, SLC18A1 ALDH1A1 255/4885FDPS 2763/4885CES1 935/4885
US-11785845-B2 Composition ADH1A, ADH1C, SLC19A2 ALDH1A1 7/4885FDPS 1427/4885CES1 224/4885
US-20180031967-A1 PHOTOACID GENERATOR AND PHOTORESIST COMPOSITION INCLUDING THE SAME PAG1, CCNT1, NAT1 ALDH1A1 83/4885FDPS 2918/4885CES1 1759/4885
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE SLC18A2, SLC6A3, SLC6A2 ALDH1A1 749/4885FDPS 3598/4885CES1 840/4885
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885FDPS 944/4885CES1 2993/4885
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 ALDH1A1 943/4885FDPS 2371/4885CES1 610/4885

“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.