SCHEMBL1132976

SCHEMBL1132976

CCOc1ccccc1C(C)N(CC)CCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ATM Q13315 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL334999 0.89 TAAR1 (0.41) ALDH1A1L3MBTL1ADRA2BNPSR1KDM4E
SCHEMBL1132754 0.89 TAAR1 (0.41) ALDH1A1L3MBTL1ADRA2BNPSR1KDM4E
SCHEMBL12608561 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1ATMADRA2AADRA2B
SCHEMBL334953 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL335997 0.80 ESR1 (0.36) HTR2AHTR2CHTR2BADRA2AADRA2B
SCHEMBL334855 0.80 MC4R (0.38) HTR2AADRA2AADRA2BKDM4E
SCHEMBL335464 0.79 ACHE (0.41) ALDH1A1
SCHEMBL12565703 0.79 ALDH1A1 (0.35) ALDH1A1L3MBTL1ATMADRA2AADRA2B
SCHEMBL1133159 0.78 PGR (0.36) L3MBTL1HTR2AADRA2AADRA2BMAPT
SCHEMBL1132481 0.78 TSHR (0.36) ALDH1A1HTR2AADRA2AADRA2BKMT2A

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 ALDH1A1 3050/4885L3MBTL1 3075/4885PSEN1 3654/4885

“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.