SCHEMBL12189883

SCHEMBL12189883

CC/C=C/COc1ccc2ccc(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 11/20 0.68
▸ CA1 P00915 11/20 0.68
▸ CA9 Q16790 11/20 0.68
▸ CA7 P43166 6/20 0.68
▸ CA6 P23280 5/20 0.68
▸ CA14 Q9ULX7 5/20 0.68
▸ CA4 P22748 5/20 0.68
▸ CA5B Q9Y2D0 3/20 0.68
▸ CA5A P35218 3/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ MTNR1A P48039 4/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ MAOB P27338 3/20 0.67
▸ CA2 P00918 3/20 0.65
▸ CA3 P07451 3/20 0.65
▸ MAOA P21397 2/20 0.60
▸ HPGD P15428 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57

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
(E)-7-(2-Butenyloxy)Coumarin SCHEMBL12189889 0.87 CA12 (0.69) CA12CA1CA9CA7CA6
(E)-7-(2-Butenyloxy)Coumarin SCHEMBL18284641 0.87 CA12 (0.69) CA12CA1CA9CA7CA6
SCHEMBL12189878 0.86 CA12 (0.68) CA12CA1CA9CA7CA6
SCHEMBL12189886 0.86 CA12 (0.68) CA12CA1CA9CA7CA6
SCHEMBL4390495 0.82 CA12 (0.75) CA12CA1CA9CA7CA6
Ethoxycoumarin SCHEMBL119072 0.82 CA9 (1.00) CA12CA1CA9CA7CA6
7-Allyloxycoumarin SCHEMBL4765530 0.81 CA12 (1.00) CA12CA1CA9CA7CA6
7-Prenyloxycoumarin SCHEMBL4898255 0.80 KDM4E (1.00) CA12CA1CA9CA7CA6
SCHEMBL18292781 0.80 MTNR1A (0.67) CA12CA1CA9CA7CA6
7-Butoxycoumarin SCHEMBL6686295 0.79 CA12 (1.00) CA12CA1CA9CA7CA6

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 4871/4885CA1 4851/4885CA9 4660/4885

“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.

Send feedback