SCHEMBL5951618

SCHEMBL5951618

O=C1c2c(cccc2-c2ccccc2)CC1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
ANPEP P15144 2/20 0.42
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
DRD2 P14416 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
ADRB3 P13945 1/20 0.39
GPR183 P32249 1/20 0.39
GRM2 Q14416 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5951730 0.82 ACHE (0.45) ACHEHTR1AHTR7MAPTMAPK1
SCHEMBL8158902 0.79 PPARG (0.37) ACHEHTR1AHTR7MAPTMAPK1
SCHEMBL5951666 0.79 ACHE (0.43) ACHEANPEPIL1RNERAP2ERAP1
SCHEMBL5951392 0.77 ACHE (0.41) ACHEMAPTGRM2HTR2AHTR2C
SCHEMBL5953225 0.77 ACHE (0.41) ACHEMAPTMAPK1ATMADRB3
SCHEMBL5509273 0.75 ACHE (0.61) ACHEANPEPIL1RNERAP2ERAP1
SCHEMBL5952527 0.73 ACHE (0.57) ACHEHTR1AHTR7DRD2
SCHEMBL5951689 0.73 ACHE (0.57) ACHEANPEPIL1RNERAP2ERAP1
Dimethylamine SCHEMBL7161154 0.72 ACHE (0.56) ACHEANPEPIL1RNERAP2ERAP1
SCHEMBL5951906 0.72 METAP1 (0.44) ACHEHTR1AHTR7DRD2

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 839/4885ANPEP 3546/4885IL1RN 2669/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ANPEP 3741/4885IL1RN 2047/4885

“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.