SCHEMBL9969403

SCHEMBL9969403

CC(C)(C)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
MAOB P27338 2/20 0.50
MIF P14174 1/20 0.47
IDO1 P14902 2/20 0.45
DAO P14920 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KCNH2 Q12809 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL11892180 0.84 TAAR1 (0.50) TAAR1MAOBMIFIDO1DAO
SCHEMBL21058264 0.83 TAAR1 (0.59) TAAR1MAOBMIFIDO1DAO
SCHEMBL19441049 0.82 KCNH2 (0.52) DAOKCNH2
SCHEMBL147651 0.82 TAAR1 (0.61) TAAR1MAOBMIFIDO1DAO
SCHEMBL934227 0.81 TAAR1 (0.73) TAAR1MAOBMIFIDO1DAO
SCHEMBL30512287 0.80 TAAR1 (0.50) TAAR1MAOBMIFIDO1DAO
SCHEMBL15735277 0.79 TAAR1 (0.48) TAAR1MAOBMIFIDO1DAO
SCHEMBL3092088 0.77 PPARA (0.51) TAAR1MAOBDAOHDAC1HDAC8
SCHEMBL1696674 0.77 TAAR1 (0.61) TAAR1MAOBMIFIDO1DAO
SCHEMBL1691810 0.77 ESR1 (0.54) TAAR1MAOBMIFIDO1KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771677-B2 Immunomodulating urea azalides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-20230129040-A1 IMMUNOMODULATING AZALIDES ZOETIS SERVICES LLC 2023-04-27 US disclosed
US-20230129040-A1 IMMUNOMODULATING AZALIDES ZOETIS SERVICES LLC 2023-04-27 US disclosed
US-20210290591-A1 IMMUNOMODULATING UREA AZALIDES ZOETIS SERVICES LLC 2021-09-23 US disclosed
US-20190119194-A1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIVERSITE DE MONCTON (CA) 2019-04-25 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TAAR1 3891/4885MAOB 1091/4885MIF 98/4885
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity ALOX12, ALOX15B, ALOX5 TAAR1 1230/4885MAOB 116/4885MIF 1409/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TAAR1 3891/4885MAOB 1091/4885MIF 98/4885
US-20190119194-A1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY ALOX12, ALOX15B, ALOX5 TAAR1 1230/4885MAOB 116/4885MIF 1409/4885
US-20230129040-A1 IMMUNOMODULATING AZALIDES IL2, MALT1, FCGRT TAAR1 843/4885MAOB 3379/4885MIF 237/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC TAAR1 4598/4885MAOB 2352/4885MIF 28/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 TAAR1 3891/4885MAOB 1091/4885MIF 98/4885
US-11771677-B2 Immunomodulating urea azalides ARG1, IL2, CD209 TAAR1 1071/4885MAOB 3993/4885MIF 221/4885
US-20210290591-A1 IMMUNOMODULATING UREA AZALIDES ARG1, IL2, CD209 TAAR1 1071/4885MAOB 3993/4885MIF 221/4885

“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.