SCHEMBL6478319

SCHEMBL6478319

CCOC(=O)CC(=O)NCCc1ccc(OC)c(OCC)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL6475948 0.95 KMT2A (0.62) KMT2ALMNAMAPTTP53THRB
SCHEMBL6484083 0.94 KMT2A (0.62) KMT2ALMNAMAPT
SCHEMBL3370380 0.91 KMT2A (0.54) KMT2ALMNAMAPT
SCHEMBL6023129 0.88 BCHE (0.54) KMT2ALMNAPOLB
SCHEMBL6476553 0.87 KMT2A (0.55) KMT2ALMNAMAPT
SCHEMBL6023779 0.86 KMT2A (0.51) KMT2AGAA
SCHEMBL6023108 0.85 CA1 (0.54) KMT2ALMNA
SCHEMBL6023639 0.85
SCHEMBL6022541 0.85 CA1 (0.57) KMT2ALMNAGAA
SCHEMBL6023518 0.84 KMT2A (0.55) KMT2AGAA

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-6930114-B2 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-16 US disclosed
US-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-07-15 US disclosed
EP-1347973-A1 PYRROLO (2.1-A) DIHYDROISOQUINOLINES AND THEIR USE AS PHOSPHODIESTERASE 10A INHIBITORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002048144-A1 PYRROLO (2.1-A) DIHYDROISOQUINOLINES AND THEIR USE AS PHOSPHODIESTERASE 10A INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-20 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-20040138249-A1 Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors PDE7B, PDE2A, PDE5A KMT2A 1344/4885LMNA 3598/4885MAPT 4388/4885

“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.