SCHEMBL977023

SCHEMBL977023

CCOC(=O)c1ccc(C2(c3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ADAM17 P78536 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
PARP10 Q53GL7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL975808 0.90 MAOB (0.50) MAOBNR4A1NR4A2NR4A3LMNA
SCHEMBL975370 0.89 LMNA (0.51) MAOBNR4A1NR4A2NR4A3LMNA
SCHEMBL975630 0.89 LMNA (0.51) MAOBNR4A1NR4A2NR4A3LMNA
SCHEMBL340618 0.88 MAOB (0.67) MAOBNR4A1NR4A2NR4A3LMNA
SCHEMBL977234 0.84 SRD5A2 (0.68) MAOBNR4A1NR4A2NR4A3LMNA
SCHEMBL977323 0.84 PARP10 (0.54) LMNAL3MBTL1SMN1; SMN2PARP10ALDH1A1
SCHEMBL12356792 0.83 SMN1; SMN2 (0.55) MAOBNR4A1NR4A2NR4A3LMNA
SCHEMBL11602002 0.83 SMN1; SMN2 (0.61) MAOBNR4A1NR4A2NR4A3LMNA
SCHEMBL12948056 0.82 TDP1 (0.53) LMNAL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL978523 0.82 MAOB (0.58) MAOBNR4A1NR4A2NR4A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S MAOB 1295/4885NR4A1 1767/4885NR4A2 1474/4885

“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.