SCHEMBL16712031

SCHEMBL16712031

CCOC(=O)/C(=C/c1ccc(OC(F)(F)F)cc1)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ EPHX2 P34913 4/20 0.52
▸ MAPT P10636 7/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ S1PR4 O95977 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ HCRTR2 O43614 1/20 0.42
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL16712033 1.00 POLB (0.52) POLBEPHX2MAPTMEN1KMT2A
SCHEMBL22746023 0.83 POLB (0.52) POLBEPHX2MAPTMEN1KMT2A
SCHEMBL10503809 0.82 MAPT (0.49) EPHX2MAPTMEN1KMT2ALMNA
SCHEMBL3952978 0.82 MAPT (0.49) EPHX2MAPTMEN1KMT2ALMNA
SCHEMBL3952982 0.82 MAPT (0.49) EPHX2MAPTMEN1KMT2ALMNA
SCHEMBL30604261 0.82 MAPT (0.43) POLBEPHX2MAPTMEN1KMT2A
SCHEMBL16073129 0.82 MAPT (0.43) POLBEPHX2MAPTMEN1KMT2A
SCHEMBL2549288 0.81 MEN1 (0.53) POLBEPHX2MAPTMEN1KMT2A
SCHEMBL15248883 0.79 CA12 (0.53) EPHX2MAPTMEN1KMT2ALMNA
SCHEMBL5606769 0.79 CA12 (0.53) EPHX2MAPTMEN1KMT2ALMNA

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-9527841-B2 Substituted pyrido[2,3-b]pyrazines as phosphodiesterase 2A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 — — US disclosed
US-20150158863-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-11 — — US disclosed
EP-2873669-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-05-20 — — 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-20150158863-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A POLB 2802/4885EPHX2 597/4885MAPT 708/4885

“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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