SCHEMBL5951540

SCHEMBL5951540

CCCC[Sn](CCCC)(CCCC)c1cccc2c1C(=O)C(C)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.41
ABCB1 P08183 1/20 0.39
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
DRD2 P14416 2/20 0.32
DRD3 P35462 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL5953178 0.78 ACHE (0.51) ACHE
SCHEMBL5952113 0.75 ACHE (0.44) ACHEABCB1MAOAMAOBDRD2
SCHEMBL5951779 0.74 ACHE (0.49) ACHEABCB1MAOAMAOBBRD4
SCHEMBL19553483 0.72 ACHE (0.46) ACHEABCB1MAOAMAOBDRD2
SCHEMBL5951451 0.71 ACHE (0.40) ACHEABCB1MAOAMAOB
SCHEMBL5951455 0.71 ACHE (0.40) ACHEABCB1MAOAMAOB
SCHEMBL3378780 0.69 MAOA (0.62) ACHEABCB1MAOAMAOBDRD2
SCHEMBL7185650 0.69 ACHE (0.53) ACHEABCB1MAOAMAOBDRD2
SCHEMBL7101088 0.68 ACHE (0.64) ACHEABCB1DRD2HTR1A
SCHEMBL5952336 0.68 ACHE (0.42) ACHEABCB1DRD2BRD4CREBBP

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 ACHE 839/4885ABCB1 1146/4885MAOA 498/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ABCB1 1132/4885MAOA 564/4885

“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.