SCHEMBL5951441

SCHEMBL5951441

CCCCC1Cc2cccc(-c3ccccc3)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
METAP1 P53582 2/20 0.40
HTR7 P34969 5/20 0.40
HTR1A P08908 4/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 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
SCHEMBL5953020 0.92 METAP1 (0.42) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL8161364 0.91 ACHE (0.39) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL5952908 0.90 ACHE (0.41) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL5952782 0.86 ACHE (0.41) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL5951906 0.86 METAP1 (0.44) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL5951507 0.83 ACHE (0.43) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL8169501 0.83 ACHE (0.37) ACHEMETAP1HTR7HTR1A
SCHEMBL5951404 0.82 ACHE (0.42) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL5951264 0.81 PDE9A (0.38) ACHEMETAP1HTR7HTR1ADRD2
SCHEMBL1853465 0.81 ACHE (0.63) ACHEMETAP1HTR7HTR1ADRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ACHE 839/4885METAP1 4201/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885METAP1 4035/4885HTR7 2049/4885

“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.