SCHEMBL4449670

SCHEMBL4449670

Nc1cccc2c3c(ccc12)C=CC(=O)C3=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 4/20 0.59
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MDM2 Q00987 1/20 0.42
▸ RECQL P46063 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ NR4A2 P43354 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PTPRC P08575 2/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL29460197 0.77 CES1 (0.83) CES1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL380656 0.74 CES1 (1.00) CES1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL27944321 0.72 ADORA2A (0.42) CES1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL70455 0.69 CES1 (0.56) CES1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL16107418 0.68 ALDH1A1 (0.87) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL14876644 0.68 ALDH1A1 (0.87) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL29365003 0.68 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL27912581 0.68 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL48843 0.68 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL4948969 0.68 CES1 (0.42) CES1ALDH1A1HPGDHSD17B10TDP1

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-1755574-A4 PTEN INHIBITORS SEMAFORE PHARMACEUTICALS INC (US) 2009-05-13 — — EP disclosed
US-20070203098-A1 Pten Inhibitors SEMAFORE PHARMACEUTICALS, INC. (US) 2007-08-30 — — US disclosed
EP-1755574-A2 PTEN INHIBITORS Semafore Pharmaceuticals, Inc. (US) 2007-02-28 — — EP disclosed
WO-2005097119-A2 PTEN INHIBITORS SEMAFORE PHARMACEUTICALS, INC. (US) 2005-10-20 — — WO 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-20070203098-A1 Pten Inhibitors PTEN, MTMR1, PTPRJ CES1 1635/4885ALDH1A1 2982/4885HPGD 1759/4885

“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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