SCHEMBL5951805

SCHEMBL5951805

CC1Cc2cc(C(C)C)cc(OS(=O)(=O)C(F)(F)F)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.45
DRD2 P14416 7/20 0.35
DRD3 P35462 3/20 0.32
HTR1D P28221 2/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 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
SCHEMBL5951784 0.77 DRD2 (0.56) ACHEDRD2DRD3HTR1DDRD1
SCHEMBL6058729 0.71 ACHE (0.43) ACHE
SCHEMBL5951531 0.71 DRD2 (0.32) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL1453416 0.70 ACHE (0.42) ACHE
SCHEMBL18581158 0.68 ALDH1A1 (0.40)
SCHEMBL5953278 0.68 ABCB1 (0.40) ACHE
SCHEMBL28796600 0.67 CXCR2 (0.44) DRD2DRD3HTR1D
SCHEMBL5953037 0.67 ACHE (0.49) ACHE
SCHEMBL14660301 0.66 ACHE (0.47) ACHE
SCHEMBL5952978 0.65 ACHE (0.60) ACHEDRD2DRD3HTR1DDRD1

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 839/4885DRD2 1803/4885DRD3 1868/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885DRD2 1860/4885DRD3 1784/4885

“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.