SCHEMBL5951165

SCHEMBL5951165

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
ACHE P22303 9/20 0.46
PARP1 P09874 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
ABCB1 P08183 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL5952276 0.91 HTR1A (0.50) HTR1AHTR7ACHEMAOBCNR2
SCHEMBL5951241 0.88 ACHE (0.47) HTR1AHTR7ACHEMAOAMAOB
SCHEMBL5951594 0.88 ACHE (0.47) HTR1AHTR7ACHEPARP1MAOA
SCHEMBL5952345 0.84 HTR1A (0.46) HTR1AHTR7PARP1MAOAMAOB
SCHEMBL5952006 0.82 ACHE (0.50) HTR1AHTR7ACHEMAOAMAOB
SCHEMBL5951965 0.81 ACHE (0.53) HTR1AHTR7ACHEPARP1MAOA
SCHEMBL5952403 0.81 ACHE (0.43) HTR1AHTR7ACHE
SCHEMBL5952875 0.80 ACHE (0.51) HTR1AHTR7ACHEMAOAMAOB
SCHEMBL5951255 0.80 ACHE (0.51) HTR1AHTR7ACHEMAOAMAOB
SCHEMBL5951620 0.79 ACHE (0.54) HTR1AHTR7ACHEMAOAMAOB

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 HTR1A 2570/4885HTR7 1861/4885ACHE 839/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885ACHE 820/4885

“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.