SCHEMBL13699039

SCHEMBL13699039

CC(C)COC/C=C/c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALOX5 P09917 2/20 0.44
TBXAS1 P24557 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
JUN P05412 1/20 0.41
MAPT P10636 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
SCHEMBL13699212 0.83 CHRNB2 (0.54) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL25584021 0.81 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL2608875 0.80 IDO1 (0.53) CHRNB2CHRNA7CYP2D6CYP2C9CYP2C19
SCHEMBL7514662 0.79 CHRNB2 (0.71) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL7514670 0.79 CHRNB2 (0.71) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL9519915 0.79 CHRNB2 (0.71) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL20079991 0.79 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL6877834 0.76 IDO1 (0.61) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL6877840 0.76 IDO1 (0.61) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL13957057 0.75 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2ACHRNB4

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US 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 (2 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 CHRNB2 4881/4885CHRNA4 4848/4885MEN1 3085/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 CHRNB2 4787/4885CHRNA4 4763/4885MEN1 3444/4885

“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.