SCHEMBL5952899

SCHEMBL5952899

C=Cc1ccccc1-c1cccc2c1CC(C)C2=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.55
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DRD2 P14416 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
S100A4 P26447 1/20 0.30

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
SCHEMBL5951929 0.89 ACHE (0.60) ACHECSNK2A2CSNK2A1DRD2
SCHEMBL5951679 0.81 ACHE (0.54) ACHEDRD2TSHRMEN1KMT2A
SCHEMBL5951338 0.78 ACHE (0.54) ACHECSNK2A2CSNK2A1ALDH1A1
SCHEMBL5952009 0.78 ACHE (0.62) ACHECSNK2A2CSNK2A1TSHRALDH1A1
SCHEMBL5952316 0.78 ACHE (0.77) ACHECSNK2A2CSNK2A1TSHR
SCHEMBL5951704 0.76 ACHE (0.60) ACHECSNK2A2CSNK2A1
SCHEMBL5952877 0.76 ACHE (0.60) ACHECSNK2A2CSNK2A1TSHRALDH1A1
SCHEMBL3066323 0.76 ACHE (0.64) ACHE
SCHEMBL5952662 0.75 ACHE (0.51) ACHE
SCHEMBL3150632 0.75 ACHE (0.58) ACHEALDH1A1MEN1KMT2A

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 5 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

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 839/4885CSNK2A2 217/4885CSNK2A1 224/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CSNK2A2 260/4885CSNK2A1 236/4885

“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.