SCHEMBL13658983

SCHEMBL13658983

CCOP(=O)(CCCc1cc(C(C)=O)ccc1C)OCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARD Q03181 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
SCHEMBL29827702 0.78 PKM (0.46) ALDH1A1TSHRSMN1; SMN2PKMMEN1
SCHEMBL13653528 0.77 MAPT (0.35) MAPTALDH1A1TSHRCREBBPHDAC8
SCHEMBL2054466 0.73 PKM (0.53) MAPTALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL13531115 0.73 TAAR1 (0.47) MAPTTSHRSMN1; SMN2POLBPPARD
SCHEMBL13653529 0.71 L3MBTL1 (0.66) MAPTALDH1A1TSHRL3MBTL1POLB
SCHEMBL3486531 0.71 RARB (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13659084 0.71 TAAR1 (0.38) ALDH1A1TSHRKMT2APPARD
SCHEMBL8666983 0.71 PLK1 (0.43) PPARD
SCHEMBL14045287 0.69 TSHR (0.49) TSHRPOLBPPARD
SCHEMBL13531116 0.69 ALDH1A1 (0.37) MAPTALDH1A1TSHRKMT2AL3MBTL1

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — 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 MAPT 2574/4885ALDH1A1 3467/4885TSHR 4758/4885

“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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