SCHEMBL21243801

SCHEMBL21243801

CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1Br

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.58
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOA P21397 5/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FOLH1 Q04609 1/20 0.47
BRD4 O60885 1/20 0.46
LRRK2 Q5S007 1/20 0.46

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
SCHEMBL384341 0.82 MAOB (0.78) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL29369517 0.82 MAOB (0.78) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL2785214 0.81 MAOB (0.71) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL12921043 0.81 TDP1 (0.56) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL34466860 0.81 TDP1 (0.56) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL11739144 0.81 MAOB (0.59) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL24379235 0.80 SMPD1 (0.49) MAOBMAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL5801964 0.80 MAOB (0.69) MAOBMAOAMEN1KMT2A
SCHEMBL7282913 0.79 MAOB (0.68) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL10750881 0.77 MAOB (0.74) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2019-08-15 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 (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-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 MAOB 1288/4885MAPT 3668/4885CYP2C9 932/4885

“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.