SCHEMBL975370

SCHEMBL975370

CCOC(=O)c1ccc(C2(c3ccc(OCc4ccccc4)cc3)CC(F)(F)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MAOB P27338 1/20 0.49
ADAM17 P78536 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PPARG P37231 1/20 0.45
SRD5A2 P31213 1/20 0.45

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
SCHEMBL977023 0.89 MAOB (0.53) LMNAL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL975808 0.85 MAOB (0.50) LMNAL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL975702 0.85 PARP10 (0.50) MAOBALDH1A1SMN1; SMN2PARP10PPARG
SCHEMBL975630 0.84 LMNA (0.51) LMNAL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL340618 0.84 MAOB (0.67) LMNAL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL12948099 0.84 KCNH2 (0.49) LMNAL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL976735 0.82 ESR1 (0.64) LMNAADRB2ADRB1ADRB3ALDH1A1
SCHEMBL977234 0.81 SRD5A2 (0.68) LMNAL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL11602002 0.79 SMN1; SMN2 (0.61) LMNAL3MBTL1MAOBNR4A1NR4A2
SCHEMBL978523 0.78 MAOB (0.58) LMNAL3MBTL1ADRB2ADRB1ADRB3

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 LMNA 3052/4885L3MBTL1 3046/4885ADRB2 182/4885

“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.