SCHEMBL5951679

SCHEMBL5951679

C=Cc1ccccc1-c1cccc2c1C(=O)C(C)C2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.54
DRD2 P14416 2/20 0.46
ABCB1 P08183 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TSHR P16473 1/20 0.36
STAT3 P40763 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL5952078 0.88 ACHE (0.47) ACHEDRD2ABCB1MAOAMAOB
SCHEMBL5952899 0.81 ACHE (0.55) ACHEDRD2TSHRMEN1KMT2A
SCHEMBL5951296 0.80 ACHE (0.59) ACHEDRD2ABCB1MAOAMAOB
SCHEMBL5952103 0.80 ACHE (0.59) ACHEDRD2ABCB1MAOAMAOB
SCHEMBL5951310 0.80 ACHE (0.47) ACHEDRD2ABCB1MAOAMAOB
SCHEMBL5951728 0.79 ACHE (0.57) ACHEDRD2ABCB1MAOAMAOB
SCHEMBL5951689 0.79 ACHE (0.57) ACHEDRD2MAOAMAOBTSHR
SCHEMBL5509273 0.78 ACHE (0.61) ACHEDRD2MAOAMAOBTSHR
SCHEMBL5952696 0.78 ACHE (0.45) ACHEDRD2ABCB1MAOAMAOB
SCHEMBL5951252 0.78 ACHE (0.56) ACHEMAOAMAOBTSHRMEN1

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 1803/4885ABCB1 1146/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885DRD2 1860/4885ABCB1 1132/4885

“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.