SCHEMBL5360540

SCHEMBL5360540

O=C(OC1CC1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
PIK3CD O00329 1/20 0.34
APOL1 O14791 1/20 0.34
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BACE1 P56817 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TNF P01375 2/20 0.32
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
LGMN Q99538 1/20 0.31
SERPINE1 P05121 1/20 0.31

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
SCHEMBL29958339 0.84 PDE4D (0.36) PDE4DPIK3CDAPOL1BACE1TNF
SCHEMBL11830010 0.83 SERPINE1 (0.35) L3MBTL1FABP7FABP5SERPINE1
SCHEMBL9228141 0.83
SCHEMBL31452884 0.82 GABRP (0.42) PDE4DAPOL1KAT2BBAZ2BBACE1
Iodide SCHEMBL28946787 0.80 SERPINE1 (0.34) L3MBTL1FABP7FABP5SERPINE1
SCHEMBL28037226 0.80 SERPINE1 (0.34) L3MBTL1FABP7FABP5SERPINE1
SCHEMBL30142098 0.78 CHRM2 (0.34) PDE4DPIK3CD
SCHEMBL17423456 0.78 PIK3CD (0.33) PIK3CD
SCHEMBL16784670 0.76 CES2 (0.48) FABP7FABP5
SCHEMBL2978095 0.75 CHRNB2 (0.53) APOL1KAT2BBAZ2BBACE1

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-7300953-B2 Process for preparing nitrile compound, carboxylic acid compound or carboxylic acid ester compound UBE INDUSTRIES, LTD (JP) 2007-11-27 US disclosed
US-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran UBE INDUSTRIES, LTD. (JP) 2006-12-21 US disclosed
EP-1671937-A1 METHOD FOR PRODUCING NITRILE COMPOUND, CARBOXYLIC ACID COMPOUND OR CARBOXYLATE COMPOUND Ube Industries, Ltd. (JP) 2006-06-21 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-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran CBR1, ALDH18A1, ME1 PDE4D 4104/4885PIK3CD 3254/4885APOL1 4873/4885

“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.