SCHEMBL5951408

SCHEMBL5951408

C[Sn](C)(C)c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.35
REV1 Q9UBZ9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTGS2 P35354 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
SCHEMBL5951303 0.79 ACHE (0.43) CES2CES1ACHEALDH1A1SMN1; SMN2
SCHEMBL29088380 0.77 CES2 (0.39) CES2CES1BCHEACHESLC6A2
SCHEMBL1359307 0.77 CES2 (0.36) CES2CES1
SCHEMBL5037722 0.72 TSHR (0.39) KDM4EALDH1A1PTGS2
SCHEMBL180426 0.71
SCHEMBL5636610 0.70 ACHE (0.39) CES2CES1BCHEACHEKDM4E
SCHEMBL15271850 0.68 CES2 (0.50) CES2CES1BCHEACHEREV1
SCHEMBL8678832 0.68 TSHR (0.35) ACHE
Magnesium SCHEMBL6436089 0.68 CES2 (0.50) CES2CES1BCHEACHEREV1
Acetic Acid SCHEMBL17924779 0.67 CES2 (0.56) CES2CES1BCHEALDH1A1

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 CES2 1925/4885CES1 3217/4885BCHE 2167/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CES2 1961/4885CES1 2736/4885BCHE 2284/4885

“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.