SCHEMBL1132591

SCHEMBL1132591

COc1ccccc1C(C)(C)OCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
KIF11 P52732 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
IDO1 P14902 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL2490799 0.84 KIF11 (0.52) TAAR1KIF11KDM4ECA12CA1
SCHEMBL12566050 0.79 HTR7 (0.40) KDM4ECA12CA1CA2CA4
SCHEMBL2489422 0.79 KIF11 (0.64) TAAR1KIF11KDM4ECA12CA1
SCHEMBL30870701 0.78 HTR2A (0.39) TAAR1KDM4ETDP1L3MBTL1HTR2A
SCHEMBL27441435 0.78 HTR2A (0.39) TAAR1KDM4ETDP1L3MBTL1HTR2A
SCHEMBL12609266 0.76 ALDH1A1 (0.39) KDM4ECA12CA1CA2CA4
SCHEMBL2130015 0.75 CA1 (0.52) KDM4ECA12CA1CA2CA4
SCHEMBL2493848 0.75 TAAR1 (0.43) TAAR1KIF11KDM4ECA12CA1
SCHEMBL26633904 0.74 TAAR1 (0.47) TAAR1CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL28044187 0.73 TAAR1 (0.45) TAAR1KDM4ECA12CA1CA2

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TAAR1 3583/4885KIF11 2075/4885KDM4E 60/4885

“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.