SCHEMBL5953393

SCHEMBL5953393

CC1Cc2c(cccc2-c2cccn2C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.55
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
PCSK9 Q8NBP7 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL5951444 0.81 ACHE (0.50) ACHEHTR1AHTR7ALDH1A1MEN1
SCHEMBL5951944 0.75 ACHE (0.55) ACHEKDM4EADRA1DADRA1A
SCHEMBL5952222 0.75 ACHE (0.54) ACHECSNK2A2CSNK2A1
SCHEMBL3066323 0.72 ACHE (0.64) ACHEHTR1AHTR7
SCHEMBL6936179 0.72 ACHE (1.00) ACHEALDH1A1
SCHEMBL13115609 0.72 ACHE (0.68) ACHEALDH1A1MAPTLMNATDP1
SCHEMBL30666460 0.72 ACHE (1.00) ACHEALDH1A1
SCHEMBL5952316 0.71 ACHE (0.77) ACHEHTR7CSNK2A2CSNK2A1
SCHEMBL5952009 0.71 ACHE (0.62) ACHECSNK2A2CSNK2A1ALDH1A1MAPT
SCHEMBL1453605 0.70 ACHE (0.66) ACHECSNK2A2CSNK2A1

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 839/4885HTR1A 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.