SCHEMBL10147311

SCHEMBL10147311

Cc1cc(C)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
GPR3 P46089 1/20 0.38
DAO P14920 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAPGEF4 Q8WZA2 3/20 0.33
NISCH Q9Y2I1 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
SCHEMBL18867947 0.89 CYP3A4 (0.40) ACHEGPR3DAOCYP3A4TSHR
SCHEMBL1057045 0.89 CYP3A4 (0.40) ACHEGPR3DAOCYP3A4TSHR
SCHEMBL823783 0.89 ACHE (0.38) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL30166047 0.89 CYP3A4 (0.40) ACHEGPR3DAOCYP3A4TSHR
SCHEMBL261036 0.88 ACHE (0.42) ACHEGPR3DAOCYP3A4TSHR
Bromide SCHEMBL28031443 0.86 ACHE (0.36) ACHEGPR3DAOHDAC1HDAC6
Hydrochloric Acid SCHEMBL29178225 0.86 ACHE (0.36) ACHEGPR3DAOHDAC1HDAC6
Methyl Alcohol SCHEMBL28273171 0.83 DAO (0.36) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL15496493 0.79 ACHE (0.36) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL14783939 0.78 MAPT (0.42) ACHEGPR3DAOCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
WO-2024073709-A2 MODIFIED OLIGONUCLEOTIDES AND DOUBLE-STRANDED RNAS ALNYLAM PHARMACEUTICALS, INC. (US) 2024-04-04 WO disclosed
WO-2023283434-A9 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2024-03-28 WO disclosed
WO-2024006953-A2 MONOMERS AND METHODS FOR SYNTHESIS OF MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2024-01-04 WO disclosed
WO-2023220744-A2 SINGLE-STRANDED LOOP OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-11-16 WO disclosed
WO-2023215805-A1 ACTIN-BINDING LIM PROTEIN 3 (ABLIM3) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2023-11-09 WO disclosed
US-20230340485-A1 ANAPLASTIC LYMPHOMA KINASE (ALK) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
WO-2023192977-A2 SNCA-TARGETING SIRNA COMPOSITIONS FOR TREATING SNCA-ASSOCIATED DISEASE ALNYLAM PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-20230304002-A1 TRANSTHYRETIN (TTR) iRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING TTR-ASSOCIATED OCULAR DISEASES BANK OF AMERICA, N.A. 2023-09-28 US disclosed
US-7553876-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2009-06-30 US disclosed
US-7473683-B2 Nonpolar thymidine analogs THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-01-06 US disclosed
US-20080207541-A1 Contacting a eukaryotic cell with a mixed backbone oligonucleotide with a first region that forms a substrate for cleavage by an RNase and a second region which does not, and a transition moiety which modulates the transmission of the conformation of said second region into the first region IONIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
US-20080207541-A1 Contacting a eukaryotic cell with a mixed backbone oligonucleotide with a first region that forms a substrate for cleavage by an RNase and a second region which does not, and a transition moiety which modulates the transmission of the conformation of said second region into the first region IONIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
US-20070276139-A1 Substituted Pixyl Protecting Groups for Oligonucleotide Synthesis ISIS PHARMACEUTICALS, INC. 2007-11-29 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070065360-A1 Nonpolar thymidine analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-22 US disclosed
US-4093669-A HALOGEN TRANSFER CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4079089-A CONTACTING A BIS/TRICHLOROMETHYL/-BENZENE WITH HYDROGEN FLUORIDE, HALOGEN TRANSFER CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 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 (7 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 ACHE 4476/4885GPR3 3723/4885DAO 582/4885
US-20080207541-A1 Contacting a eukaryotic cell with a mixed backbone oligonucleotide with a first region that forms a substrate for cleavage by an RNase and a second region which does not, and a transition moiety which modulates the transmission of the conformation of said second region into the first region RNASEH1, NSUN3, RNASEL ACHE 4549/4885GPR3 3574/4885DAO 1614/4885
US-20070276139-A1 Substituted Pixyl Protecting Groups for Oligonucleotide Synthesis RPP30, NOP10, NR0B1 ACHE 4631/4885GPR3 1488/4885DAO 1698/4885
US-20070065360-A1 Nonpolar thymidine analogs TK1, TYMP, TK2 ACHE 4582/4885GPR3 1189/4885DAO 2184/4885
US-20230340485-A1 ANAPLASTIC LYMPHOMA KINASE (ALK) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALK, DGKG, EIF2AK2 ACHE 4792/4885GPR3 3078/4885DAO 4373/4885
US-20230304002-A1 TRANSTHYRETIN (TTR) iRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING TTR-ASSOCIATED OCULAR DISEASES TTR, MTPN, CRYAA ACHE 3653/4885GPR3 4190/4885DAO 4486/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 ACHE 4691/4885GPR3 4186/4885DAO 4427/4885

“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.