SCHEMBL2385366

SCHEMBL2385366

CC(CC=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
MKNK1 Q9BUB5 5/20 0.45
MKNK2 Q9HBH9 5/20 0.45
KIF11 P52732 1/20 0.45
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ERN1 O75460 1/20 0.42
GPR55 Q9Y2T6 3/20 0.42
CYP11B2 P19099 1/20 0.41
FLT3 P36888 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL7043773 0.82 CFTR (0.44) CYP19A1
SCHEMBL2312796 0.82 GRIA4 (0.50)
SCHEMBL12360035 0.81 NPC1 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL28744344 0.81 SMN1; SMN2 (0.43) CYP19A1
SCHEMBL27536594 0.80 CYP2A6 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL10025255 0.77 NPC1 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL2737282 0.77 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL8688362 0.75 CYP3A4 (0.39) CYP3A4ALDH1A1CYP19A1CYP2C19
SCHEMBL6881081 0.74 CYP2A6 (0.62) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL11494260 0.74 FFAR1 (0.40) CA1CA2

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-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CYP2A6 1502/4885CYP3A4 1260/4885ALDH1A1 2376/4885

“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.