SCHEMBL5951365

SCHEMBL5951365

CCCCC1Cc2cc(Cc3ccccc3)c(Br)c(OS(=O)(=O)C(F)(F)F)c2C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
GRM2 Q14416 2/20 0.33
DRD2 P14416 3/20 0.32
HTR1D P28221 3/20 0.32
DRD3 P35462 3/20 0.32
AADAT Q8N5Z0 1/20 0.32

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
SCHEMBL5952994 0.77 CYP24A1 (0.38) ACHEAADAT
SCHEMBL5952216 0.76 ACHE (0.33) ACHEDRD2HTR1DDRD3
SCHEMBL5952308 0.67 DRD2 (0.49) DRD2HTR1DDRD3
SCHEMBL6471317 0.64 HTR1A (0.36) HTR1D
SCHEMBL7571254 0.60 GABRA1 (0.42) DRD2HTR1DDRD3
Iodide SCHEMBL7620798 0.60 THRA (0.45)
Hydrogen Sulfide SCHEMBL7625091 0.60 THRA (0.45)
SCHEMBL1853465 0.59 ACHE (0.63) ACHEDRD2DRD3
SCHEMBL7500214 0.59 HPGD (0.45) DRD2DRD3
SCHEMBL11118779 0.59 GRM2 (0.47) ACHEGRM2

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 839/4885GRM2 3431/4885DRD2 1803/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885GRM2 3240/4885DRD2 1860/4885

“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.