SCHEMBL12566254

SCHEMBL12566254

COc1ccccc1C(C)(C)N(C)CCSC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CHRM2 P08172 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL12608144 0.84 AOC3 (0.36) HTR7AOC3ALDH1A1CA12CA1
SCHEMBL12565788 0.81 CA1 (0.40) HTR7AOC3ALDH1A1CA12CA1
SCHEMBL1132364 0.81 TAAR1 (0.44) HTR7HTR2AAOC3ALDH1A1CA12
SCHEMBL15473833 0.81 AOC3 (0.40) HTR7HTR1AHTR2AAOC3ALDH1A1
SCHEMBL15473823 0.81 HTR7 (0.46) HTR7HTR1AHTR2AAOC3ALDH1A1
SCHEMBL15471036 0.80 AOC3 (0.39) HTR7AOC3ALDH1A1CA12CA1
SCHEMBL15473816 0.78 CYP1A2 (0.43) HTR7DRD2AOC3ALDH1A1CA12
SCHEMBL12608093 0.77 CHRM2 (0.39) HTR7AOC3ALDH1A1CA12CA1
SCHEMBL1133276 0.77 ALDH1A1 (0.40) HTR7HTR1AHTR2AAOC3ALDH1A1
SCHEMBL12566106 0.76 GAA (0.42) HTR7AOC3ALDH1A1CA12CA1

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 2 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

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 HTR7 2241/4885HTR1A 2160/4885DRD2 375/4885

“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.