SCHEMBL15899125

SCHEMBL15899125

CC1(C)OCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(Cn2ccnc2[N+](=O)[O-])CO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SMYD2 Q9NRG4 3/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ TYMP P19971 3/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ EGFR P00533 2/20 0.30

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
SCHEMBL15899359 0.92 CA12 (0.36) CYP3A4CYP2D6OPRK1SMYD2CA12
SCHEMBL15899409 0.86 CA12 (0.37) CYP3A4CYP2D6OPRK1CA12CA1
SCHEMBL15899212 0.84 SMYD2 (0.35) CYP3A4CYP2D6OPRK1SMYD2ABL1
SCHEMBL18577912 0.84 CA12 (0.39) CYP3A4CYP2D6OPRK1CA12CA1
SCHEMBL15899159 0.83 SMYD2 (0.34) SMYD2ABL1LMNA
SCHEMBL15899150 0.83 SMYD2 (0.34) SMYD2ABL1LMNA
SCHEMBL15899130 0.82 SMYD2 (0.33) SMYD2
SCHEMBL15899202 0.81 SMYD2 (0.33) SMYD2
SCHEMBL14822362 0.80 CYP3A4 (0.38) CYP3A4CYP2D6OPRK1CA12CA1
SCHEMBL15899177 0.79 SMYD2 (0.32) SMYD2ABL1

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
EP-2759538-B1 RADIOACTIVE FLUORINE LABELED COMPOUND NIHON MEDIPHYSICS CO LTD (JP) 2016-03-23 — — EP disclosed
US-9107964-B2 Radioactive fluorine-labeled compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2015-08-18 — — US disclosed
US-20140364620-A1 RADIOACTIVE FLUORINE-LABELED COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-12-11 — — US disclosed
EP-2759538-A1 RADIOACTIVE FLUORINE LABELED COMPOUND Nihon Medi-Physics Co., Ltd. (JP) 2014-07-30 — — EP 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-20140364620-A1 RADIOACTIVE FLUORINE-LABELED COMPOUND AFF1, PRMT1, DOT1L CYP3A4 1827/4885CYP2D6 1499/4885OPRK1 1639/4885

“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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