SCHEMBL15868587

SCHEMBL15868587

COc1cc(OCF)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
APLNR P35414 1/20 0.38
MAPT P10636 2/20 0.38
AR P10275 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHFR P00374 1/20 0.36
TSHR P16473 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL15700177 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL13978302 0.84 CA2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13256249 0.82 NQO1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27919562 0.81 FYN (0.43) CA12CA1CA2CA7CA9
SCHEMBL16900529 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL8251636 0.79 L3MBTL1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL13784819 0.79 THRA (0.47) CA12CA1CA2CA7CA9
SCHEMBL14404539 0.79 TUBB4A (0.50) CA12CA1CA2CA7CA9
SCHEMBL29837419 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL140807 0.79 CA12 (0.65) CA12CA1CA2CA7CA9

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-9505799-B2 18F-labeled precursor of PET radioactive medical supplies, and preparation method thereof FUTURECHEM CO., LTD. (KR) 2016-11-29 US disclosed
US-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF FUTURECHEM CO., LTD. (KR) 2014-07-10 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-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF SLC43A1, SLC7A5, SLC35B2 CA12 2138/4885CA1 2872/4885CA2 3270/4885

“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.