SCHEMBL12189878

SCHEMBL12189878

O=c1ccc2ccc(OC/C=C/CBr)cc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 11/20 0.68
▸ CA9 Q16790 11/20 0.68
▸ CA1 P00915 10/20 0.68
▸ MAOB P27338 5/20 0.63
▸ MTNR1A P48039 4/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ CA6 P23280 5/20 0.60
▸ CA7 P43166 5/20 0.60
▸ CA14 Q9ULX7 5/20 0.60
▸ CA4 P22748 5/20 0.60
▸ CA5B Q9Y2D0 3/20 0.60
▸ CA5A P35218 3/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CA2 P00918 3/20 0.57
▸ CA3 P07451 3/20 0.57
▸ MAOA P21397 4/20 0.57
▸ NPC1 O15118 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL12189886 0.86 CA12 (0.68) CA12CA9CA1MAOBMTNR1A
SCHEMBL12189883 0.86 CA12 (0.68) CA12CA9CA1MAOBMTNR1A
(E)-7-(2-Butenyloxy)Coumarin SCHEMBL18284641 0.84 CA12 (0.69) CA12CA9CA1MAOBMTNR1A
(E)-7-(2-Butenyloxy)Coumarin SCHEMBL12189889 0.84 CA12 (0.69) CA12CA9CA1MAOBMTNR1A
SCHEMBL4390495 0.82 CA12 (0.75) CA12CA9CA1MAOBMTNR1A
7-Allyloxycoumarin SCHEMBL4765530 0.81 CA12 (1.00) CA12CA9CA1MAOBMTNR1A
SCHEMBL18292781 0.80 MTNR1A (0.67) CA12CA9CA1MAOBMTNR1A
SCHEMBL6590585 0.79 CA12 (0.72) CA12CA9CA1MAOBMTNR1A
SCHEMBL12304245 0.78 CA12 (0.81) CA12CA9CA1MAOBMTNR1A
SCHEMBL7883068 0.78 CA12 (0.75) CA12CA9CA1MAOBMTNR1A

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-8030466-B2 3′-o-fluorescently modified nucleotides and uses thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-10-04 — — US disclosed
US-20110076679-A1 3'-O-FLUORESCENTLY MODIFIED NUCLEOTIDES AND USES THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-03-31 — — 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-20110076679-A1 3'-O-FLUORESCENTLY MODIFIED NUCLEOTIDES AND USES THEREOF NUDT1, RNGTT, DNTT CA12 4871/4885CA9 4660/4885CA1 4851/4885

“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.

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