SCHEMBL334680

SCHEMBL334680

CC1(C)COC(c2cccc(CC(=O)O)c2)OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
AKR1B1 P15121 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
BRD4 O60885 1/20 0.37
CYP26A1 O43174 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL22436542 0.84 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19MAPK1
SCHEMBL22436578 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CYP2C19MAPK1
SCHEMBL22436585 0.82 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2CYP2C19MAPK1
SCHEMBL334828 0.80 MEN1 (0.40) NPC1RAB9ASMN1; SMN2CYP2C19MAPK1
SCHEMBL22436631 0.77 CYP4F2 (0.41) NPC1RAB9ASMN1; SMN2CYP2C19MEN1
SCHEMBL26447568 0.76 TSHR (0.43) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL7255668 0.74 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19MEN1
SCHEMBL8608558 0.73 MEN1 (0.69) NPC1RAB9ASMN1; SMN2CYP2C19MAPK1
SCHEMBL23972333 0.72 AKR1B1 (0.50) CYP2C19CYP1A2AKR1B1LTB4RLTB4R2
SCHEMBL9946117 0.72 KMT2A (0.44) NPC1RAB9ASMN1; SMN2CYP2C19MEN1

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 NPC1 209/4885RAB9A 5/4885SMN1; SMN2 3120/4885

“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.