SCHEMBL5952877

SCHEMBL5952877

CC1Cc2c(cccc2-c2ccccc2N)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.60
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.38
PTPRC P08575 1/20 0.37
ADORA2A P29274 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.36
HSD17B10 Q99714 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL2905609 0.88 ACHE (0.66) ACHEALDH1A1L3MBTL1BRD4PTPRC
SCHEMBL5952316 0.81 ACHE (0.77) ACHEBRD4CSNK2A2CSNK2A1HTR2B
SCHEMBL5952009 0.81 ACHE (0.62) ACHEALDH1A1BRD4CSNK2A2CSNK2A1
SCHEMBL5951704 0.80 ACHE (0.60) ACHEBRD4CSNK2A2CSNK2A1
SCHEMBL3066323 0.79 ACHE (0.64) ACHEBRD4
SCHEMBL3150632 0.79 ACHE (0.58) ACHEALDH1A1BRD4LMNATP53
SCHEMBL5952789 0.79 ACHE (0.58) ACHEBRD4CSNK2A2CSNK2A1
SCHEMBL5952092 0.78 ACHE (0.82) ACHELMNAMAPT
SCHEMBL5951270 0.78 ACHE (0.57) ACHECSNK2A2CSNK2A1TSHR
SCHEMBL5951728 0.78 ACHE (0.57) ACHEALDH1A1L3MBTL1PTPRCADORA2A

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 839/4885ALDH1A1 317/4885L3MBTL1 4883/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ALDH1A1 198/4885L3MBTL1 4881/4885

“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.