SCHEMBL5848428

SCHEMBL5848428

COc1cc(O)ccc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
APP P05067 1/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
MGAM O43451 1/20 0.40

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
SCHEMBL30542148 0.86 MAOB (0.55) MAOBCYP3A4MAPTESR1ESR2
SCHEMBL9862160 0.86 MAOB (0.55) MAOBCYP3A4MAPTESR1ESR2
SCHEMBL4363954 0.84 MAOB (0.53) MAOBCYP3A4MAPTESR1ESR2
SCHEMBL2041131 0.83 MAOB (0.52) MAOBCYP3A4ESR1ESR2GAA
SCHEMBL18535801 0.83 MAOB (0.57) MAOBCYP3A4MAPTESR1ESR2
SCHEMBL10750457 0.81 MAOB (0.50) MAOBCYP3A4MAPTESR1ESR2
SCHEMBL26085067 0.81 MAOB (0.50) MAOBCYP3A4MAPTESR1ESR2
SCHEMBL25255901 0.80 PTGS2 (0.50) MAOBCYP3A4MAPTAPP
SCHEMBL21524722 0.78 MAOB (0.47) MAOBCYP3A4MAPTESR1ESR2
SCHEMBL20821061 0.78 MAOB (0.47) MAOBCYP3A4MAPTESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851102-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-12-01 US disclosed
WO-2020154350-A1 IMIDAZO[1,5-A]PYRIDINE, 1,2,4-TRIAZOLO[4,3-A]PYRIDINE AND IMIDAZO[1,5-A]PYRAZINE AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-30 WO disclosed
US-20200231590-A1 IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-23 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 US disclosed
US-7084194-B2 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2006-08-01 US disclosed
US-6900269-B2 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2005-05-31 US disclosed
US-20040254305-A1 Epoxy resin composition for photosemiconductor package CHANG CHUN PLASTIC CO., LTD. (TW) 2004-12-16 US disclosed
US-20040158023-A1 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-08-12 US disclosed
US-20040147640-A1 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-07-29 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 (5 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-10851102-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors JAK3, JAK1, JAK2 MAOB 3254/4885CYP3A4 514/4885MAPT 2399/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 MAOB 2826/4885CYP3A4 2836/4885MAPT 2611/4885
US-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A MAOB 2566/4885CYP3A4 2628/4885MAPT 3709/4885
US-20200231590-A1 IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 MAOB 3254/4885CYP3A4 514/4885MAPT 2399/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1498/4885CYP3A4 106/4885MAPT 3505/4885

“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.