SCHEMBL334829

SCHEMBL334829

Cc1cccc(Br)c1C1OCC(C)(C)CO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SOAT1 P35610 1/20 0.35
MAP3K14 Q99558 1/20 0.33
CYBB P04839 2/20 0.32
NOX5 Q96PH1 2/20 0.32
NOX1 Q9Y5S8 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL26982292 0.82 ALDH1A1 (0.41) ALDH1A1MAP3K14
SCHEMBL31753138 0.82 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ASOAT1CYBB
SCHEMBL9738280 0.77 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ASOAT1CYBB
SCHEMBL28873682 0.74 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ASOAT1HTR1A
SCHEMBL767620 0.71 ERN1 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29427022 0.69 ALDH1A1 (0.46) ALDH1A1MAP3K14
SCHEMBL16953812 0.69 ALDH1A1 (0.46) ALDH1A1MAP3K14
SCHEMBL3105747 0.68 KDM1A (0.43) SMN1; SMN2ALDH1A1NPC1RAB9ASOAT1
SCHEMBL26982160 0.68 AHR (0.31) HTR2B
SCHEMBL18119745 0.66 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ASOAT1MEN1

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 SMN1; SMN2 3120/4885ALDH1A1 1939/4885NPC1 209/4885

“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.