SCHEMBL106443

SCHEMBL106443

C#CCOc1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4279603 0.97 MAOA (0.48) MAOAMAOBCA12CA1CA2
SCHEMBL26032282 0.89 MAOA (0.43) MAOAMAOBCA12CA1CA2
SCHEMBL31469962 0.84 HTT (0.48) MAPTPOLBGAAALDH1A1
SCHEMBL1339773 0.84 MRGPRX4 (0.52) MAOAMAOBKDM4ELMNAPOLB
SCHEMBL30180651 0.84 MRGPRX4 (0.52) MAOAMAOBKDM4ELMNAPOLB
SCHEMBL254800 0.83 MAPT (0.66) MAOAMAOBCA12CA1CA2
SCHEMBL31469953 0.81 EGFR (0.48) MAOAMAOBMAPTKDM4ELMNA
SCHEMBL7037960 0.80 KMT2A (0.47) MAOAMAOBCA12CA1CA2
SCHEMBL24723021 0.80 MAOB (0.49) MAOAMAOBCA12CA1CA9
SCHEMBL17346492 0.80 TSHR (0.43) MAOAMAOBCA12CA1CA2

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-11142500-B2 Nanohoop compound embodiments comprising meta-substitution and molecular systems comprising the same UNIVERSITY OF OREGON (US) 2021-10-12 US disclosed
CN-102443128-A Method for preparing polyurethane material grafted by methoxy polyethylene glycol UNIV SOUTHEAST 2012-05-09 CN disclosed
US-20120059173-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2012-03-08 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-20120059173-A1 DENDRITIC MOLECULES CD40LG, CD40, TLR3 MAOA 3464/4885MAOB 2980/4885CA12 1535/4885
US-11142500-B2 Nanohoop compound embodiments comprising meta-substitution and molecular systems comprising the same MYC, KRAS, NRAS MAOA 2930/4885MAOB 3318/4885CA12 1312/4885

“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.