SCHEMBL13659084

SCHEMBL13659084

CCOP(=O)(CCc1cc(N)ccc1C)OCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PPARD Q03181 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CCNT1 O60563 4/20 0.35
▸ CDK9 P50750 4/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL13531173 0.85 PPARD (0.41) TAAR1PPARDMAPK1KMT2AALDH1A1
SCHEMBL13531115 0.84 TAAR1 (0.47) TAAR1PPARDCCNT1CDK9TSHR
SCHEMBL13531116 0.82 ALDH1A1 (0.37) PPARDKMT2AALDH1A1TSHR
SCHEMBL13531124 0.80 GAA (0.39) PPARDKMT2AALDH1A1CASP1TSHR
SCHEMBL7393069 0.76 GFER (0.45) PPARDCYP3A4TSHR
SCHEMBL9538080 0.74 MAPK1 (0.59) TAAR1MAPK1KMT2AALDH1A1CYP3A4
SCHEMBL13530622 0.73 CCNT1 (0.42) MAPK1KMT2AALDH1A1CCNT1CDK9
SCHEMBL12401813 0.73 ALDH1A1 (0.50) TAAR1MAPK1KMT2AALDH1A1CASP1
SCHEMBL5953121 0.72 ALDH1A1 (0.54) TAAR1MAPK1KMT2AALDH1A1CASP1
SCHEMBL16252171 0.71 TAAR1 (0.42) TAAR1CYP3A4

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
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES TAAR1 4363/4885PPARD 197/4885MAPK1 1327/4885

“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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