SCHEMBL5951841

SCHEMBL5951841

Cc1ccc(-c2cccc3c2C(=O)C(C)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.53
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ABCB1 P08183 1/20 0.37
STAT3 P40763 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5952527 0.88 ACHE (0.57) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5509273 0.87 ACHE (0.61) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5952120 0.86 ACHE (0.51) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5951988 0.86 ACHE (0.51) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5952093 0.86 ACHE (0.51) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5953400 0.86 ACHE (0.51) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5952875 0.86 ACHE (0.51) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5951497 0.86 ACHE (0.51) ACHEMAOAMAOBHTR1ADRD2
SCHEMBL5952266 0.85 ACHE (0.50) ACHEMAOAMAOBNPC1RAB9A
SCHEMBL5951460 0.84 ACHE (0.52) ACHEMAOADRD2EDNRBEDNRA

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 839/4885MAOA 498/4885MAOB 334/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOA 564/4885MAOB 403/4885

“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.