SCHEMBL5953075

SCHEMBL5953075

CCCCC#CC1Cc2c(OS(=O)(=O)C(F)(F)F)cccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.45
DRD3 P35462 7/20 0.45
HTR1D P28221 2/20 0.45
DRD4 P21917 5/20 0.42
HTR5A P47898 1/20 0.42
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41

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
SCHEMBL5951550 0.84 DRD2 (0.44) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL5952978 0.75 ACHE (0.60) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL5951640 0.72 DRD2 (0.47) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL5952502 0.69 DRD2 (0.46) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL5951253 0.69 DRD2 (0.43) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL16076556 0.67 KCNA3 (0.51) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL1239227 0.65 DRD2 (0.44) DRD2DRD3HTR1DDRD4HTR5A
Iodide SCHEMBL8736533 0.65 PTGDR2 (0.52) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL5952308 0.65 DRD2 (0.49) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL1284678 0.65 DRD2 (0.49) DRD2DRD3HTR1DDRD4HTR5A

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 DRD2 1803/4885DRD3 1868/4885HTR1D 2726/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DRD2 1860/4885DRD3 1784/4885HTR1D 1994/4885

“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.