SCHEMBL334936

SCHEMBL334936

CC(NCCN)c1ccc(OCC(=O)N2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.69
POLB P06746 1/20 0.59
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
USP2 O75604 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.49

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
SCHEMBL335329 0.90 ALDH1A1 (0.56) FKBP1APOLBALDH1A1HPGDL3MBTL1
SCHEMBL10243876 0.86 FKBP1A (0.65) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL10245484 0.76 ALDH1A1 (0.53) FKBP1APOLBALDH1A1HPGDL3MBTL1
SCHEMBL13534672 0.75 FKBP1A (0.92) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL2712996 0.75 FKBP1A (0.74) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL335399 0.75 SMN1; SMN2 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL12359393 0.73 FKBP1A (1.00) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL335195 0.73 FKBP1A (0.74) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL335085 0.73 NPC1 (0.51) POLBALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL15919449 0.73 FKBP1A (0.74) FKBP1APOLBALDH1A1HPGDUSP2

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 FKBP1A 2222/4885POLB 3348/4885ALDH1A1 1939/4885

“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.