SCHEMBL334977

SCHEMBL334977

CCOc1ccc(C(C)=O)cc1CN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 2/20 0.59
PKM P14618 2/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.55
RAD52 P43351 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HIF1A Q16665 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 1/20 0.50
CREBBP Q92793 1/20 0.50

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
Hydrochloric Acid SCHEMBL4256880 0.89 RAB9A (0.55) ALDH1A1HPGDMAPK1PKMMAPT
SCHEMBL4255666 0.88 RAB9A (0.54) ALDH1A1HPGDMAPK1MAPTTSHR
SCHEMBL334642 0.87 L3MBTL1 (0.74) ALDH1A1MAPK1PKMMAPTTSHR
SCHEMBL334535 0.87 L3MBTL1 (0.74) ALDH1A1HPGDMAPK1PKMMAPT
SCHEMBL1012433 0.80 L3MBTL1 (0.60) ALDH1A1HPGDMAPK1MAPTHTT
SCHEMBL11621223 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1PKMMAPT
SCHEMBL25011152 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1TSHRKMT2A
SCHEMBL4262165 0.79 MAPK1 (0.51) ALDH1A1HPGDMAPK1TSHRKMT2A
Hydrochloric Acid SCHEMBL11625902 0.78 L3MBTL1 (0.51) ALDH1A1HPGDMAPK1PKMMAPT
SCHEMBL1011690 0.78 CYP2A13 (0.55) ALDH1A1HPGDMAPK1MAPTL3MBTL1

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US 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 (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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ALDH1A1 1939/4885HPGD 556/4885MAPK1 2104/4885

“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.