SCHEMBL335337

SCHEMBL335337

CCOc1ccccc1C(C)NCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
HCRTR1 O43613 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL335035 0.87 CA1 (0.53) L3MBTL1KMT2ACA1CA2ACHE
SCHEMBL12609209 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EKMT2APOLB
SCHEMBL18575556 0.82 SLC6A2 (0.42) ALDH1A1L3MBTL1KMT2APOLBALOX15
SCHEMBL10243808 0.77 HCRTR1 (0.50) L3MBTL1KDM4EKMT2AHCRTR1CCNC
SCHEMBL335275 0.75 ADRB2 (0.47) ALDH1A1KDM4EPOLBHTR1AADRA1A
SCHEMBL335140 0.75 POLB (0.60) ALDH1A1KDM4EKMT2APOLBALOX15
SCHEMBL8389696 0.74 HTR1B (0.55) ALDH1A1KDM4EKMT2AHTR1AADRA1D
Hydrochloric Acid SCHEMBL4705491 0.73 ADRB2 (0.46) ALDH1A1KDM4EKMT2AALOX15HTR1A
SCHEMBL147185 0.73 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4EKMT2APOLB
SCHEMBL254754 0.73 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EKMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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 (2 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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 ALDH1A1 3050/4885L3MBTL1 3075/4885KDM4E 60/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ALDH1A1 1939/4885L3MBTL1 2853/4885KDM4E 128/4885

“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.