SCHEMBL4189560

SCHEMBL4189560

[CH2]c1c(OC)cc(OC(F)F)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6024324 0.83 ALDH1A1 (0.40) MEN1KMT2ALMNACA12CA1
SCHEMBL14183056 0.81 MEN1 (0.40) MEN1KMT2ALMNACA12CA1
SCHEMBL34336 0.77 ALDH1A1 (0.53) MEN1KMT2ALMNACA12CA1
SCHEMBL16951839 0.75 ALDH1A1 (0.46) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL28000518 0.75 ALDH1A1 (0.58) KMT2ACA12CA1CA2CA7
Hydrochloric Acid SCHEMBL6006654 0.75 ALDH1A1 (0.50) MEN1KMT2ALMNACA12CA1
SCHEMBL10044941 0.75 ACHE (0.42) MEN1KMT2ALMNACA9MAPT
SCHEMBL14183048 0.72 MEN1 (0.47) MEN1KMT2ALMNACA12CA1
SCHEMBL4735668 0.71 MEN1 (0.34) MEN1KMT2ALMNAPDE2APDE10A
SCHEMBL4176039 0.71 PTGS1 (0.43) MEN1KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 MEN1 2797/4885KMT2A 1876/4885LMNA 4855/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 MEN1 3124/4885KMT2A 1329/4885LMNA 4813/4885

“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.