SCHEMBL5952006

SCHEMBL5952006

CC1Cc2cccc(-c3cc(F)cc(F)c3)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.50
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ABCB1 P08183 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL5953400 0.87 ACHE (0.51) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5952875 0.84 ACHE (0.51) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951255 0.84 ACHE (0.51) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5952912 0.82 ACHE (0.50) ACHEHTR1AMAOAMAOBABCB1
SCHEMBL5951620 0.82 ACHE (0.54) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951165 0.82 HTR1A (0.49) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5509273 0.81 ACHE (0.61) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951241 0.80 ACHE (0.47) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951713 0.80 ACHE (0.54) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951435 0.80 ACHE (0.54) ACHEHTR1AHTR7ABCB1

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 839/4885HTR1A 2570/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HTR1A 2132/4885HTR7 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.